Persona
SONCINI ALESSANDRO
Docenti di ruolo di IIa fascia
Curriculum Vitae
Work Address : Department of Chemical Sciences, University of Padova (Italy).
E-mail Address : alessandro.soncini@unipd.it
Webpage (Research): http://www.sonciniresearchgroup.com/user/38
Webpage (ORCID) : https://orcid.org/0000-0002-6779-7304
RESEARCH OPPORTUNITIES
Education
2003: PhD in Theoretical Chemistry. Uni Modena & Reggio Emilia. Supervisor: Prof. P. Lazzeretti.
1999: Laurea in Chimica (cum laude). Uni Modena & Reggio Emilia. Supervisor: Prof. P. Lazzeretti & Prof. R. Zanasi.
Work Experience
• Nov 2022-present: Full-time Associate Professor, Department of Chemical Sciences, University of Padova (Italy).
• May 2022- Nov 2022: Associate Professor with double affiliation at: (i) Department of Chemical Sciences, University of Padova (Italy), & (ii) School of Chemistry, University of Melbourne (Australia).
• 2019-2022, ARC Future Fellow (research-focused fellowship from the Australian Research Council, equivalent to an ERC Consolidator Grant –funding > A$ 1M (A$ = Australian Dollars))
• 2019-2022, Associate Professor & Reader (tenured), School of Chemistry, University of Melbourne (Australia).
• 2015-2018, Senior Lecturer (tenured), School of Chemistry, University of Melbourne (Australia).
• 2011-2014, Lecturer (tenure-track), School of Chemistry, University of Melbourne (Australia).
• 2009-2010, Research Fellow of the Institute for Nanoscale Physics and Chemistry (KULeuven, Belgium).
• 2008-2009, Forsker (Researcher), Centre for Theoretical and Computational Chemistry, Uni Oslo (Norway).
• 2006-2007, Franqui postdoctoral fellow, Division of Quantum Chemistry (KULeuven, Belgium).
• 2003-2005, Postdoctoral researcher, School of Chemistry, University of Exeter (UK).
MAJOR RESEARCH GRANTS (CI = Chief Investigator)
• Australian Research Council (ARC) Discovery Grant DP210103208 ($330 K) (Lead & Sole CI: A. Soncini). Years: 2021-2024.
• LIEF Grant for the purchase of a Magnetometry Facility for Molecular and Nanoscale Materials, Grant LE210100009 (Lead CI: A/Prof Colette Boskovic, $ 620 K).
• Australian Research Council (ARC) Future Fellowship FT180100519 ($843 K) + University of Melbourne Establishment Grant ($200 K). Years: 2018-2022. Lead & Sole CI: A. Soncini.
• Australian Research Council (ARC) Discovery Grant DP170100034 ($403 K). Years: 2017-2020. Lead CI: A. Soncini (2019,2020), C. Boskovic (2017,2018).
• Australian Research Council (ARC) Discovery Grant DP150103254 ($445 K). Years: 2015-2018. (Lead CI: Soncini)
• External collaborator (non-EU) in 7th EU Framework STREP proposal FPT7-ICT-2013-10, MoQuaS: Molecular Quantum Spintronics (EUR 2 M, managed by the EU institutions). Years: 2013-2016.
• Fondation Francqui-Stichting Research Fellowship, sole investigator, prestigious Belgian fellowship funding De Soncini’s postdoctoral salary at Katholieke Universiteit Leuven (Belgium). Years: 2006-2008.
OTHER RESEARCH GRANTS (Internal grants & Experiment funding)
• Australian Centre for Neutron Scattering (formerly Bragg Institute), Neutron Beam Instrument time for a total of $280 K (in-kind). Years: 2018-2020.
• External collaborator (non-EU) in 7th EU Framework STREP proposal FPT7-ICT-2013-10, MoQuaS: Molecular Quantum Spintronics (EUR 2 M, managed by the EU institutions). Years: 2013-2016.
• McKenzie Fellowship, awarded by Uni. Mel. to Dr Van den Heuvel in Soncini’s research group Y: 2013-2015.
• Early Career Researcher Grant (A$40 K), awarded by University of Melbourne. Year: 2012.
• Selby Research Award ($14 K), awarded by the University of Melbourne. Year: 2011.
SCIENTIFIC ABILITATIONS
In 2012 I obtained three Italian Scientific Abilitations (ASN – Abilitazione Scientifica Nazionale) as Associate Professor (Professore Fascia II): in Inorganic Chemistry, in Physical Chemistry, and in Theoretical Condensed Matter Physics:
• Italian national scientific habilitation (ASN, bando 2012, DD n. 222/2012) as Associate Professor in Inorganic Chemistry (Fondamenti delle Scienze Chimiche e Sistemi Inorganici, 03/B1).
• Italian national scientific habilitation (ASN, bando 2012, DD n. 222/2012) as Associate Professor in Theoretical Condensed Matter Physics (Fisica Teorica della Materia, 02/B2).
• Italian national scientific habilitation (ASN, bando 2012, DD n. 222/2012) as Associate Professor in Physical Chemistry (Modelli e Metodologie per Le Scienze Chimiche, 03/A2).
PHD SUPERVISION (11 students led to completion)
• Dr Jared M. Ashtree, University of Melbourne, 06/02/2021. Thesis: “Magnetisation and Transport Dynamics of Nanomagnets with Toroidal Ground States”. Supervisors: A/Prof Alessandro Soncini (principal), A/Prof Colette Boskovic (co-supervisor) http://hdl.handle.net/11343/274960
• Dr Kieran Hymas, University of Melbourne, 24/09/2020. Thesis: “Quantum Spin Dynamics of Molecular Spintronics Devices Based on Single-Molecule Nanomagnets”. Supervisor (sole): A/Prof Alessandro Soncini http://hdl.handle.net/11343/243008
• Dr Shashank V. Rao, University of Melbourne, 02/02/2020. Thesis: “Development and Application of Theoretical Models for Molecular Magnetism”. Supervisor (sole): A/Prof Alessandro Soncini http://hdl.handle.net/11343/234024
• Dr Gemma K. Gransbury, University of Melbourne, 21/07/2019. Thesis: “Valence Tautomerism and exchange interactions in cobalt-dioxolene complexes”. Supervisors: A/Prof Colette Boskovic (principal), A/Prof Alessandro Soncini (co-supervisor). http://hdl.handle.net/11343/225780
• Dr Haibei Huang, University of Melbourne, 21/05/2018. Thesis: “Magnetic interactions between lanthanide single-molecule magnets and a magnetic substrate”. Supervisor (sole): Dr Alessandro Soncini http://hdl.handle.net/11343/214488.
• Dr Michele Vonci, University of Melbourne, 15/03/2018. Thesis: “Synthesis and investigation of polyoxometalate-supported lanthanoid single-molecule magnets”. Supervisors: A/Prof Colette Boskovic (principal), Dr. Alessandro Soncini (co-supervisor) http://hdl.handle.net/11343/213490
• Dr Simone Calvello, University of Melbourne, 21/01/2018. Thesis: “Theoretical characterization of electronic and magnetic properties of lanthanide single-molecule magnets”. Supervisor (sole): Dr. Alessandro Soncini http://hdl.handle.net/11343/197755
• Dr Xinli Zhang, University of Melbourne, 5/10/2017. Thesis: “A new Stokes-Einstein Relation for Size Determination of Nanoparticles”. Supervisors: Dr Angus Gray-Weale (former principal superv.), Dr Alessandro Soncini (principal superv. during last year)
• Dr Yecheng Zhou, University of Melbourne, 21/06/2017. Thesis: “Theoretical Studies of Perovskite Solar Cells”. Supervisors: Dr Angus Gray-Weale (former principal superv.), Dr Alessandro Soncini (principal superv. during last year)
• Dr Mayouan Liu, University of Melbourne, 2015. Thesis: “Predicting the Thermodynamic Properties of Liquids from Computer Simulation”. Supervisors: Dr Angus Gray-Weale (former principal superv.), Dr Alessandro Soncini (principal superv. during last year)
• Dr Erik Tellgren, University of Oslo, 28/12/2009. Thesis: “Quantum-chemical method development for extended and magnetic systems”. Supervisors: Prof. Trygve Helgaker (principal), Prof. K. Ruud (co-supervisor), Dr. Alessandro Soncini (co-supervisor)
http://www.mn.uio.no/forskning/aktuelt/arrangementer/disputaser/2005-2010/tellgren-erik.html
RESEARCH ACTIVITY
104 publications, of which: 97 journal articles; 5 book chapters; 2 peer-reviewed conference proceedings.5,024
Google Scholar (GS): 6035 citations, h-index = 38. Web of Science (WoS): 5024 citations, h-index 34
I have supervised 4 postdoctoral researchers, and supervised or co-supervised 11 PhD, 5 MSc, and 3 Honours students. Below is a brief description of our main contribution to four areas of interest to our research activity:
1.Magnetic anisotropy and slow spin relaxation in single-molecule magnets: We are interested in the theoretical/computational simulation and analysis of the electronic structure, magnetic anisotropy and spin dynamics of strongly correlated and strongly spin-orbit coupled lanthanide SMMs. Our own work exposed quantitatively the relationships between the asphericity of the 4f electron density and magnetic anisotropy (see our Nature Comm. (2013) 4, 2551), and led to the first observation of a aspherical 4f-electron density distribution in synchrotron X-Ray Diffraction experiments, from the theoretical analysis of which it was unveiled an unexpected MJ-decomposition (multiconfigurational character) of the degenerate ground state (see our Nature Chemistry (2020),12, 213). We also developed an approach to the direct simulation of the dissipative spin dynamics in polynuclear Ln(III) SMMs, reproducing experimental single-crystal hysteresis of the magnetization (see our Nature Comm. (2017) 8, 1023).
2.Development of ab initio methods for strongly correlated and strongly spin-orbit coupled 4f-states in Rare Earth Complexes: We ideated, developed, and implemented from scratch the multiconfigurational scalar-relativistic quantum chemistry ab initio code CERES (Computational Emulator of Rare Earths Systems), specialized in the calculation of crystal field states, magnetic excitations and magnetic properties of Ln-SMMs. The code is based on novel algorithms proposed by us and shown to be more efficient than what available from commercial codes (see our J. Comp. Chem. (2018) 39, 328; but also our PCCP (2016) 18, 15807). The code implements the first Cholesky decomposition of two-electron spin-orbit integrals (see J. Comp. Chem. (2017), 38, 2775; see also https://doi.org/10.26434/chemrxiv.11858370.v1), and recent developments include a multiconfigurational ab initio fragment approach to the 4f states in Ln(III) complexes (see https://doi.org/10.26434/chemrxiv.11858346). As evidence of the impact of our contribution, our methods were also implemented in the commercial code MOLPRO (see P. Hallmen et al. J. Chem. Phys. (2017) 147, 164101).
3.Theory of NMR for molecular ground states of arbitrary degeneracy: We developed a novel theoretical framework and ab initio computational strategy to evaluate the paramagnetic NMR nuclear shieldings for molecules with a ground state of arbitrary degeneracy. More generally, we could define NMR molecular response properties in terms of analytical derivatives of an electronic free energy, which allow for a well-defined free-energy perturbation theory expansion (see our Phys. Rev. Lett. (2012) 109, 073001; but also our two papers: J. Chem. Phys. (2013) 138, both 021103 (Editor’s choice) & 054113). Leading researchers have adopted our theory as the SvH-model (Soncini-Van den Heuvel model), see e.g. Martin & Autschbach, J. Chem. Phys. (2015) 142, 054108. See also Flagship CECAM Workshop “Paramagnetic NMR in f elements” at https://www.cecam.org/workshop-details/1043 , Toulouse, Nov. 2021. We have recently formulated a theory of chiral discrimination via pulsed NMR spectroscopy for molecules with a ground state of arbitrary degeneracy, based on the detection of a macroscopic chiral rotating electric polarization, which led to the prediction that NMR chiral discrimination can be achieved at room temperature (see our Phys. Rev. Lett. (2016) 116, 163001).
4.Toroidal moments, and molecular magnetism: We formulated a microscopic model leading to the prediction (see our Phys. Rev. B (2008) 77, 220406) and discovery (see our Angew. Chemie Int. Ed. (2008) 47, 4126) of special combinations of chiral spin states in molecular spin rings, known as molecular toroidal states. We also identified coupled configurations of chiral spin states in CrDy6 double-triangles called ferrotoroidic states and studied their effect on hysteresis spin dynamics (see our Nature Comm. (2017) 8, 1023 and Eur. J. Inorg. Chem. (2021) 5, 435), and clarified the emergence of states that can sustain toroidal polarization also in the weak spin-orbit coupling regime as a result of spin frustration in spin triangles (see Phys. Rev. B (2018) 98, 094417; and Physica B: Phys. Cond. Mat. (2020) 592, 412237).
OTHER ACHIEVEMENTS
Prizes, Honours and Awards
• 2020/2021 Visiting Professorship, University of Modena, Italy.
• 2019 Visiting Professorships, University of Padova, Italy & University of Modena, Italy.
• 2015 Dean’s Award for Excellence in Research (Teaching & Research), University of Melbourne.
• 2011 Selby Research Award, University of Melbourne.
• 2006 Francqui-Stichting Foreign Postdoctoral Mandate, Fondation Francqui-Stichting (Belgium).
Selected Invited Speaker Addresses (since 2016)
• CECAM (Centre Européen de Calcule Atomique et Moléculaire) Workshop: Paramagnetic NMR in f elements, Nov. 21-24, 2021, Toulouse (France, see https://www.cecam.org/workshop-details/1043). Invited by organisers Prof. Hélène Bolvin (Université Paul Sabatier, Toulouse, France) and Prof. Jochen Autschbach (Univeristy of Buffalo, USA).
• Universität Bielefeld (Germany), Condensed Matter Theory Group Seminars, 8 April 2021 (see https://www2.physik.uni-bielefeld.de/condmat_seminar.html). Invited by Prof. Dr. Jürgen Schnack, Fakultät für Physik, Universität Bielefeld (Germany).
• RACI PhysChem Webinar, 18 Nov. 2020 (delivered a Zoom seminar for the RACI PhysChem community). Invited by Dr. Laura McKemmish, University of New South Wales (Sydney, Australia).
• PACIFICHEM 2020 (now moved to Dec 2021): symposium “New Frontiers in Fundamental Science of Molecular Chirality” Honolulu (Hawaii), Dec. 2020. Invited by Prof. Takamasa Momose, Prof. Brooks H. Pate and Prof. Yasuhiro Ohshima.
• APATCC9 (2019): 9th Conference of the Asian-Pacific Association of Theoretical and Computational Chemist, Oct. 2019, Sydney (Australia).
• APATCC8 (2017): 8th Conference of the Asia-Pacific Conference of Theoretical and Computational Chemistry, 15-18 December 2017, Indian Institute of Technology, Bombay (India).
• ANZMAG-2017: 11th Conference of the Australian and New-Zealand Society for Magnetic Resonance, 2-6 Dec, Kingscliff, New South Wales (Australia).
• SANZOMAG Southampton-Australian-New Zealand-Otago Workshop on Molecular Magnetism, Dunedin, New Zealand, February 2017
• EUROMAR 2016: Workshop “pNMR: The roots of the matter. Foundations and future challenges for theory and experiments of paramagnetic NMR”, July 2016, Aarhus, Denmark.
Representative Publications
• C. Gao, A. Genoni, S. Gao, S. Jiang, A. Soncini, J. Overgaard, Observation of the asphericity of 4f-electron density and its relation to the magnetic anisotropy axis in Single-Molecule Magnets, Nature Chemistry 2020, 12, 213-219. Cited 40 times.
• S. Calvello, M. Piccardo, S. V. Rao, A. Soncini, CERES: An ab initio code dedicated to the calculation of the electronic structure and magnetic properties of Ln complexes. J. Comp. Chem. 2018, 39, 328. Cited 19 times.
• KR Vignesh, A Soncini, SK Langley, W Wernsdorfer, KS Murray, G Rajaraman, Ferrotoroidic ground state in a heterometallic CrDy6 complex displaying slow magnetic relaxation. Nature Comm. 2017, 8,1023. Cited 83 times.
• W. Van den Heuvel, S. Calvello, A. Soncini, Configuration-averaged 4f orbitals in ab initio calculations of low-lying crystal field levels in lanthanide(III) complexes. Phys. Chem. Chem. Phys. 2016, 18, 15807. Cited 22 times.
• A. Soncini and S. Calvello, “Room Temperature Chiral Discrimination in Paramagnetic NMR Spectroscopy”, Physical Review Letters 2016, 116, 163001. Cited 11 times.
• N. F. Chilton, D. Collison, E. J. L. McInnes, R. E. P. Winpenny, A. Soncini, An electrostatic model for the determination of magnetic anisotropy in dysprosium complexes. Nature Comm. 2013, 4, 2551. Cited 523 times.
• N. F. Chilton, R: P. Anderson, L. D. Turner, A. Soncini, K. S. Murray, PHI: A powerful new program for the analysis of anisotropic monomeric and exchange-coupled polynuclear d- and f-block complexes. J. Comp. Chem. 2013 34, 1164. Cited 1558 times.
• A. Soncini and W. Van den Heuvel, “Communication: Paramagnetic NMR chemical shift in a spin state subject to zero-field splitting”, The Journal of Chemical Physics 2013, 138, 021103. Editors’ Choice 2013. Cited 61 times.
• W. Van den Heuvel and A. Soncini, “NMR chemical shift in an electronic state with arbitrary degeneracy”, Physical Review Letters 2012, 109, 073001. Cited 80 times.
• L. F. Chibotaru, L. Ungur, A. Soncini, The origin of nonmagnetic Kramers doublets in the ground state of dysprosium triangles: evidence for a toroidal magnetic moment. Angew. Chemie Int. Ed. 2008, 120, 4194. Cited 639 times.
TEACHING ACTIVITY
Since I started my Teaching & Research academic position at the University of Melbourne in 2011, where I have taught till 2021 with no interruption both undergraduate and graduate Chemistry courses across all four years. Due to the local teaching-load model (the so-called "Melbourne Model"), all chemistry courses work via team-teaching. Since 2022 I moved to the University of Padova, where I am teaching two first-year undergraduate General Chemistry courses (6+4 CFU)), and will be teaching from next year one MSc-level (Laurea Magistrale) optional course (6CFU) on Advanced Computational Inorganic Chemistry.
Department of Chemical Sciences, University of Padova (2022-present)
2022:
IF0320 Chimica Generale e Inorganica e Chimic Fisica (Scienze e Tecnologie Ambientali). 6 CFU
SC1168 Chimica Generale e Inorganica (Ottica e Optometria): 4 CFU.
School of Chemistry, University of Melbourne (2011-2021)
2021:
CHEM 20020 Structure & Properties: Symmetry in Chemistry module. – 3 CFU
CHEM 30014 Specialized Topics in Chemistry B: Quantum Mechanics in Chemistry module 3 CFU
CHEM 30016 Reactivity & Mechanisms - Module of 3 CFU.
2020:
CHEM 20020 Structure & Properties: Symmetry in Chemistry - 3 CFU.
CHEM 30016 Reactivity & Mechanisms - Module of 3 CFU.
CHEM 30014 Specialized Topics in Chemistry B: Quantum Mechanics in Chemistry module 3 CFU.
CHEM 90010/18 MSc/Hons: Magnetism in Chemistry - module of 2 CFU.
2019:
CHEM 20020 Structure & Properties: Symmetry in Chemistry - 3 CFU.
CHEM 30014 Specialized Topics in Chemistry B: Quantum Mechanics in Chemistry module 3 CFU.
CHEM 90010/18 MSc/Hons : Magnetism in Chemistry - module of 2 CFU.
2018:
CHEM 10004 Chemistry 2 second semester: 3 CFU.
CHEM 20020 Structure & Properties: Symmetry in Chemistry 3 CFU.
CHEM 30016 Reactivity & Mechanisms: module 3 CFU.
CHEM 30014 Specialized Topics in Chemistry B: Quantum Mechanics in Chemistry module 3 CFU.
CHEM 30015 Advanced Practical Chemistry (4 lab sessions, plus prac marking)
CHEM 90010/18 MSc/Hons: Magnetism in Chemistry 2 CFU
2017:
CHEM 10004 Chemistry 2 second semester: 3 CFU.
CHEM 20020 Structure & Properties: Symmetry in Chemistry 3 CFU.
CHEM 30014 Specialized Topics in Chemistry B: Quantum Mechanics in Chemistry module 3 CFU
CHEM 30016 Reactivity & Mechanisms: 3 CFU
CHEM 30015 Advanced Practical Chemistry (4 lab sessions, plus prac marking)
2016:
CHEM 10004 Chemistry 2 second semester: 3 CFU.
CHEM 20020 Structure & Properties: Symmetry in Chemistry 3 CFU.
CHEM 30014 Specialized Topics in Chemistry B: Quantum Mechanics in Chemistry module 3 CFU
CHEM 30016 Reactivity & Mechanisms: 3 CFU
CHEM 90010/18 MSc/Hons: Magnetism in Chemistry 2 CFU
2015:
CHEM 10004 Chemistry 2 summer semester Jan-Feb 2016 3 CFU.
CHEM 10004 Chemistry 2 second semester (tutorials only, Physical Chemistry module) 2 CFU.
CHEM 10004 Chemistry 2 second semester (10 lab sessions/senior demonstrator)
CHEM 20020 Structure & Properties: Symmetry in Chemistry 3 CFU.
CHEM 30014 Specialized Topics in Chemistry B: Quantum Mechanics in Chemistry module 3 CFU.
CHEM 90010/18 MSc/Hons: Magnetism in Chemistry 2 CFU.
2014:
CHEM 10004 Chemistry 2 summer semester Jan-Feb 2015.
CHEM 20020 Structure & Properties: Symmetry in Chemistry 3 CFU.
CHEM 20018 Reaction & Synthesis (tutorials).
CHEM 30014 Specialized Topics in Chemistry B: Quantum Mechanics in Chemistry module 3 CFU..
CHEM 30016 Reactivity & Mechanisms: module 3 CFU.
CHEM 90010/18 MSc/Hons: Magnetism in Chemistry 2CFU.
2013:
CHEM 10003 Chemistry 1 (tutorials only)
CHEM 10004 Chemistry 2 summer semester Jan-Feb 2014 3 CFU.
CHEM 20020 Structure & Properties: Symmetry in Chemistry 3 CFU
CHEM 20018 Reaction & Synthesis (tutorials only).
CHEM 30014 Specialized Topics in Chemistry B: Quantum Mechanics in Chemistry module 3 CFU.
CHEM 30016 Reactivity & Mechanisms: 3 CFU.
CHEM 90010/18 MSc/Hons: Magnetism in Chemistry 2 CFU.
2012:
CHEM 10003 Chemistry 1 (tutorials only)
CHEM 10004 Chemistry 2 summer semester Jan-Feb 2013 (tutorials only).
CHEM 20020 Structure & Properties: Symmetry in Chemistry 3 CFU.
CHEM 20018 Reaction & Synthesis:module 3 CFU.
CHEM 30014 Specialized Topics in Chemistry B: Quantum Mechanics in Chemistry module 3 CFU.
CHEM 90010 MSc/Hons: Magnetism in Chemistry. 2CFU
2011:
CHEM 10004 Chemistry 2 summer semester Jan-Feb 2012 (tutorials only, 2CFU).
CHEM 20018 Reaction & Synthesis (tutorials only, 2CFU).
CHEM 20020 Structure & Properties: Symmetry in Chemistry. 3CFU
CHEM 30014 Specialized Topics in Chemistry B: Quantum Mechanics in Chemistry module (3 CFU).
Other teaching activities:
- May 2021: Appointed Visiting Professor at the Department of Physics of the University of Modena, School of Physics and Nanoscience, and CNR Nano Institute, to deliver 12 lectures for PhD students (due to travel restrictions we are arranging for online/Zoom delivery).
- Feb 2019-May 2019: Appointed Visiting Professor at the Department of Physics of the University of Modena and CNR Nano Institute (Institute of Nanoscience), to teach a graduate course on molecular magnetism within the PhD course within the School of Physics and Nanoscience (full-semester course, 30 contact hours between lectures and computer lab activities).
- Dec 2014-May 2015: Appointed Visiting Professor at the Department of Physics of the University of Modena and CNR Nano Institute (Institute of Nanoscience), to teach a graduate course on molecular magnetism within the PhD course in Physics and Nanoscience (full-semester course, 30 contact hours, mostly lectures).
- September 2009: Lecturer for the module “Theoretical models for coherent transport in carbon nanostructures” (8 lectures) within the 4th European Master in Theoretical Chemistry and Computational Modelling TCCM, at the K. U. Leuven (Belgium).
- Mar - Jun 2008: Lecturer for the MSc course subject “Molecular Properties” KJM5610, 45 contact hours (30 lectures & 15 tutorials) on the theory of molecular spectroscopies, University of Oslo (Norway).
SERVICE TO THE PROFESSION (COMMISIONS OF TRUST, EDITORIAL BOARDS, REVIEWER ACTIVITY)
Commissions of Trust
2017 – 2021: While in Melbourne, I served as a foreign member of the School Council (Collegio Docenti) of the Physics and Nanosciences School of Graduate Studies, of the University of Modena and Reggio Emilia (Italy).
http://www.nano-phdschool.unimore.it/site/home/organization.html
Editorial Boards
- Editorial Board Member, Magnetochemistry (Indexed in Scopus, Impact Factor: 3.336, Citescore: 3.0)
- Associate Editor, Frontiers in Chemistry, Theoretical and Computational Chemistry section (Indexed in Scopus, Impact Factor: 5.545, Citescore: 4.1)
Regular Reviewer for Peer-Reviewed Journals, regularly including top Impact Factor Journals
I regularly review articles for various chemistry and physics journals, including Nature Chemistry, Nature Communications, Journal of the American Chemical Society, ACS Central Science, Angewandte Chemie International Edition, Chemical Science, Physical Review (Letters, A, and B), Journal of Chemical Physics, Physical Chemistry Chemical Physics, Dalton Transactions, Journal of Physical Chemistry (Letters and A), Journal of Chemical Theory and Computations, Inorganic Chemistry, Chemistry – A European Journal, Chemistry – An Asian Journal, Advanced Functional Materials, Journal of Applied Physics.
Regular Reviewer of Grant Applications
Each year I serve as reviewer for various National and International Funding Agencies, such as ARC - Australian Research Council; ANSTO - Australian Nuclear Science and Technology Organisation; ERC - European Research Council; and Science Academies from various countries including Canada, France and Finland. For instance, I have very recently served as reviewer for the following projects:
• Appointed as Remote Referee for European Research Council (ERC) – regular reviewer for ERC Starting Grants (one per year since 2018).
• NWO Dutch Research Council (start in 2021).
• US Department of Energy, Office of Basic Energy Sciences (BES) (start in 2021).
• Projet de Recherche Collaborative (PRC) for the Agence National de la Recherche (ANR), France.
• Research Proposals for the Frontier Research in Chemistry Foundation, France.
• Discovery Grant Applications for the Natural Sciences and Engineering Research Council of Canada (NSERC);
• Academy Research Fellow Proposals for the Academy of Finland.
• Discovery Project Grants, DECRA and Future Fellowship applications for the Australian Research Council (ARC), typically two or three per year (one DECRA and one DP project in 2020).
• Several Inelastic Neutron Scattering instrument applications (~4 projects per year) for the Australian Nuclear Science and Technology Organisation (ANSTO).
University of Padova:
Administrative & Service roles in University committees:
- Chemistry representative on University HPC Focus Group planning a Uni Padova HPC centre.
Administrative & Service roles within the Department of Chemical Sciences:
- Member of the work group developing a new MSc stream in Data-Driven Chemistry
- Member of a work group developing a Master in Machine Learning in Chemistry
University of Melbourne:
Administrative & Service roles within the Faculty of Science:
- Academic Advisor (2020-present)
- Member of the Graduate School Academic Program Committee (2016-2018)
- Chair of the Faculty of Science IT committee (2014)
- Member of Faculty of Science IT committee (2013)
Administrative & Service roles within the School of Chemistry:
- Member of two Selection Panels to hire Level B/C academic staff in Theoretical Chemistry (2018, 2019)
- Coordinator of MSc/Hons course in Chemistry (2016-2018)
- Member of the School Academic Program Committee (2016-2018)
- Member of the Student-Staff Liaison Committee (2015-2018)
- Member of the School of Chemistry Research Committee (2014)
- Coordinator of the Physical Chemistry Seminars (2012- 2013)
- Member of the Academic Standing Committee (2016 – present)
PhD Review Panels:
I am (or have been) member or chair for PhD Confirmation and Progress Review Panels for several (> 20) PhD Students.
FULL LIST OF PUBLICATIONS
Journal Articles:
1. A. M. Atkin, M. J. Giansiracusa, S. Calvello, E. Rousset, R. W. Gable, W. Phonsri, K. S. Murray, J. K. Howard, A. Soncini, R. Mole, C. Boskovic, “Inelastic neutron scattering measurement of the ground state tunneling gap in Tb and Ho analogues of a Dy Field-Induced Single-Molecule Magnet”, Inorganic Chemistry 62, 1141 (2023).
2. M. A Dunstan, M. J. Giansiracusa, M. Vonci, S. Calvello, D. Yu, A. Soncini, C. Boskovic, R. Mole, “Direct observation of magnetoelastic coupling in a molecular spin qubit: new insights from crystal field neutron scattering data”, Chemical Science 14, 3990 (2023).
3. E. Rousset, M. Piccardo, R.W. Gable, M. Massi, L. Sorace, A. Soncini, C. Boskovic, “Elucidation of LMCT Excited States for Lanthanide Complexes: A Theoretical and Solid-State Experimental Framework”, Inorganic Chemistry 61, 14004 (2022).
4. K. Hymas, A. Soncini, “The Role of Magnetic Dipole-Dipole Coupling in Quantum Single-Molecule Toroics”, Magnetochemistry 8, 58 (2022).
5. S. V. Rao, M. Piccardo, A. Soncini, “Study of the most relevant spin-orbit coupling descriptions of magnetic excitations in a series of lanthanide complexes”, Phys. Chem. Chem. Phys. 24, 9007 (2022).
6. A. Soncini, M. Piccardo, “Ab initio non-covalent crystal field theory for lanthanide complexes: a multiconfigurational non-orthogonal group function approach“, Phys. Chem. Chem. Phys. 24, 18915 (2022).
7. K. Hymas, A. Soncini, “Disentangling 4f-radical coupling and dissipative Landau-Zener quantum tunneling in a continuously measured single-ion magnet spin transistor”, Phys. Rev. B 104, 205306 (2021)
8. J. M. Ashtree, I. Borilovic, K. R. Vignesh, A. Swain, S. H. Hamilton, Y. L. Whyatt, S. L. Benjamin, W. Phonsri, C. M. Forsyth, W. Wernsdorfer, A. Soncini, G. Rajaraman, S. K. Langley, K. S. Murray “Tuning the ferrotoroidic coupling and magnetic hysteresis in double-triangle complexes {Dy3MIIIDy3} via the MIII linker”, European Journal of Inorganic Chemistry 5, 435 (2021) – online access December 2020. We made the Journal front cover!
9. K. Hymas, A. Soncini, “Origin of the hysteresis of magnetoconductance in a supramolecular spin-valve based on a TbPc2 single-molecule magnet”, Phys. Rev. B 102, 125310 (2020).
10. K. Hymas, A. Soncini, “Mechanisms of spin-charge conversion for the electrical radout of 4f quantum states in a TbPc2 single-molecule magnet spin transistor”, Phys. Rev. B 102, 045313 (2020).
11. S. V. Rao, J. Ashtree, A. Soncini, “Toroidal moment in a family of spin-frustrated heterometallic triangular nanomagnets without spin-orbit coupling: applications in a molecular spintronics device”, Physica B: Physics of Condensed Matter 102, 125310 (2020).
12. S. Calvello, A. Soncini, “Effect of magnetic anisotropy on direct chiral discrimination in paramagnetic NMR spectroscopy”, Phys. Chem. Chem. Phys. 22, 8427-8441 (2020) https://doi.org/10.1039/D0CP00539H. (2020 PCCP HOT Article)
13. Chen Gao, Alessandro Genoni, Song Gao, Shangda Jiang, A. Soncini, Jacob Overgaard, “Observation of the asphericity of 4f-electrondensity and its relation to the magnetic anisotropy axis in single-molecule magnets”, Nature Chemistry 12, 213-219 (2020) (published online: 16 December 2019).
14. Matteo Piccardo, A. Soncini, Patrick W Fowler, Guglielmo Monaco, Riccardo Zanasi, “Design of annulene-within-an-annulene systems by the altanisation approach. A study of altan-[n]-annulenes”, Phys. Chem. Chem. Phys. 22, 5476-5486 (2020) (2020 PCCP HOT Article).
15. Haibei Huang, Willem Van den Heuvel, A. Soncini, “Lanthanide-radical magnetic coupling in [LnPc2]0: Competing exchange mechanisms captured via ab initio multi-reference calculations”, Quantum Materials Research 1:e200003 (2020). Special Issue “Single Molecule Magnets - In Memory of Professor Alessandro Bencini. See preprint at https://arxiv.org/abs/2001.09420 . DOI: https://doi.org/10.20900/qmr20200003
16. Gemma K Gransbury, Marie-Emmanuelle Boulon, Richard A Mole, Robert W Gable, Boujemaa Moubaraki, Keith S Murray, Lorenzo Sorace, A. Soncini, Colette Boskovic, “Single-ion anisotropy and exchange coupling in cobalt(II)-radical complexes: insights from magnetic and ab initio studies”, Chemical Science 10, 8855-8871 (2019).
17. K. Hymas and A. Soncini, “Molecular spintronics using single-molecule magnets under irradiation”, Physical Review B 99, 245404 (2019).
18. J. M. Crabtree and A. Soncini, “Toroidal quantum states in molecular spin-frustrated triangular nanomagnets with weak spin-orbit coupling: Applications to molecular spintronics”, Physical Review B 98, 094417 (2018).
19. E. Rousset, M. Piccardo, M. E. Boulon, R. Gable, A. Soncini, L. Sorace and C. Boskovic, “Slow Magnetic Relxation in Lanthnaoid Crown Ether Complexes: Interplay of Raman and Anomalous Phonon Bottleneck Processes”, Chemistry – A European Journal 24, 14768 (2018).
20. O. El Bakouri, V. Postils, M. Garcia–Borr ́as, M. Duran, J. M. Luis, S. Calvello, A. Soncini, E. Matito, F. Feixas and M. Sola, “Metal Cluster Electrides: a new Type of Molecular Electrides with Delocalised Polyattractor Character”, Chemistry – A European Journal 24, 9853 (2018).
21. S. Calvello, M. Piccardo, S. V. Rao and A. Soncini, “CERES: An ab initio code dedicated to the calculation of the electronic structure and magnetic properties of lanthanide complexes”, Journal of Computational Chemistry 39, 328 (2018).
22. D. Komijani, A. Ghirri, C. Bonizzoni, S. Klyatskaya, E. Moreno-Pineda, M. Ruben, A. Soncini, M. Affronte, and S. Hill, “Radical-lantanide ferromagnetic interaction in a TbIII bis-phthalocyaninato complex”, Physical Review Materials 2, 024405 (2018). Editor’s Choice.
23. K. R. Vignesh, A. Soncini, S. K. Langley, W. Wernsdorfer, K. S. Murray, G. Rajaraman, “Ferrotoroidic ground state in a heterometallic CrDy6 complex displaying slow magnetic relaxation”, Nature Communications 8, 1023 (2017).
24. M. Piccardo and A. Soncini, “A full-pivoting algorithm for the Cholesky decomposition of two-electron repulsion and spin-orbit coupling integrals”, Journal of Computational Chemistry 38, 2775 (2017).
25. A. Brown, M. Saber, W. Van den Heuvel, K. Schulte, A. Soncini, K. Dunbar, “Titanium(III) member of a the family of trigonal building blocks with scorpionate and cyanide ligands”, Inorganic Chemistry 56, 1031-1035 (2017).
26. M. Vonci, M.J. Giansiracusa, W. Van den Heuvel, R. W. Gable, B. Noubaraki, K. S. Murray, D. H. Yu, R. A. Mole, A. Soncini, C. Boskovic, “Magnetic excitations in polyoxotungstate single-molecule magnets: An inelastic neutron scattering and ab initio study”, Inorganic Chemistry 56, 378-394 (2017).
27. S. Marocchi, A. Candini, D. Klar, W. Van den Heuvel, H. Huane, F. Troiani, V. Corradini, R. Biagi, V. De Renzi, S. Klyatskaya, K. Kummer, N. B. Brookes, M. Ruben, H. Wende, U. Del Pennino, A. Soncini, M. Affronte, V. Bellini, “Relay-like exchange mechanism through a spin radical between TbPc2 molecules and graphene/Ni(111) substrates”, ACS Nano 10, 9353-9360 (2016).
28. A. Soncini and S. Calvello, “Room Temperature Chiral Discrimination in Paramagnetic NMR Spectroscopy”, Physical Review Letters 116, 163001 (2016).
29. W. Van den Heuvel, S. Calvello and A. Soncini, “Configuration averaged 4f-orbitals in ab initio calculations of low-lying crysal field levels in lanthanide(III) complexes”Physical Chemistry Chemical Physics 18, 15807 (2016).
30. A. Candini, D. Klar, S. Marocchi, V. Corradini, R. Biagi, V. de Renzi, U. del Pennino, F. Troiani, V. Bellini, S. Klyatskaya, M. Ruben, K. Kummer, N. B. Brookes, H. Huang, A. Soncini, H. Wende, M. Affronte, “Spin-communication channels between Ln(III) bis-phthalocyanines molecular nanomagnets and a magnetic substrate”, Scientific Reports 6, 21740 (2016).
31. M. J. Giansiracusa, M. Vonci, W. Van den Heuvel, R. W. Gable, B. Moubaraki, K. S. Murray, D. Yu, R. A. Mole, A. Soncini and C. Boskovic, “Carbonate-Bridged Lanthanoid Triangles: Single-Molecule Magnet Behavior, Inelastic Neutron Scattering, and Ab Initio Studies”, Inorganic Chemistry 55, 5201 (2016).
32. M. Vonci, M. J. Giansiracusa, R. W. Gable, W. Van den Heuvel, K. Latham, B. Moubaraki, K. S. Murray, D. Yu, R. A. Mole, A. Soncini, and C. Boskovic, “Ab initio calculations as a quantitative tool in the inelastic neutron scattering study of a single-molecule magnet analogue”, Chemical Communications 52, 2091 (2016).
33. A. Soncini and W. Van den Heuvel, “Complete spectrum of the infinite-U Hubbard ring using group theory”, The Journal of Chemical Physics 140 (2014), 184113.
34. W. Van den Heuvel and A. Soncini, “Dirac cones in the spectrum of bond-decorated graphenes”, The Journal of Chemical Physics 140 (2014) 234114
35. N. F. Chilton, D. Collison, E. McKinnes, R. E. P. Winpenny and A. Soncini, “An electrostatic model for the determination of magnetic anisotropy in dysprosium complexes”, Nature Communications 4, 2551 (2013).
36. N. F. Chilton, S. Langley, B. Moubaraki, A. Soncini, S. R. Batten and K. S. Murray, “Single Molecule Magnetism in a family of mononuclear β-diketonate lanthanide(III) complexes: rationalization of magnetic anisotropy in complexes of low symmetry”, Chemical Science 4, 1719 (2013).
37. W. Van den Heuvel and A. Soncini, “NMR chemical shift as analytical derivative of the Helmholtz free energy”, The Journal of Chemical Physics 138, 054113 (2013).
38. A. Soncini and W. Van den Heuvel, “Communication: Paramagnetic NMR chemical shift in a spin state subject to zero-field splitting”, The Journal of Chemical Physics 138, 021103 (2013). JCP Editors’ Choice 2013.
39. N. F. Chilton, R. P. Anderson, L. D. Turner, A. Soncini and K. S. Murray “PHI: A powerful new program for the analysis of anisotropic monomeric and exchange-coupled polynuclear d- and f-block complexes”, Journal of Computational Chemistry 34, 1164 (2013).
40. A. Soncini and P. W. Fowler, “Counter-rotating spin-polarised ring currents in odd-electron carbocycles”, Chemistry – A European Journal 19, 1740 (2013) (first published online: 6 DEC 2012).
41. W. Van den Heuvel and A. Soncini, “NMR chemical shift in an electronic state with arbitrary degeneracy”, Physical Review Letters 109, 073001 (2012).
42. P. W. Fowler and A. Soncini, “Visualising aromaticity of bowl-shaped molecules”, Physical Chemistry Chemical Physics 13, 20637 (2011).
43. L. W. Jenneskens, R. W. Havenith, A. Soncini and P. W. Fowler, “Aromaticity of strongly bent benzene rings: persistence of a diatropic ring current and its shielding cone in [5]paracyclophane”, Physical Chemistry Chemical Physics 13, 16861 (2011).
44. W. P. Oziminski, T. M. Krygowski, P. W. Fowler, and A. Soncini, “Aromatization of fulvene by complexation with lithium”, Organic Letters 12, 4880 (2010).
45. A. Soncini, T. Mallah and L. F. Chibotaru, “Molecular spintronics in mixed-valence magnetic dimers: the double exchange blockade mechanism”, The Journal of the American Chemical Society 132, 8106 (2010).
46. A. Soncini and L. F. Chibotaru, “Molecular spintronics using noncollinear magnetic molecules”, Physical Review B 81, 132403 (2010). .
47. D. E. Bean, P. W. Fowler and A. Soncini, “Double aromaticity and ring currents in open-shell systems”, Chemical Physics Letters 483, 193 (2009).
48. E. I. Tellgren, T. Helgaker, and A. Soncini “Non-perturbative magnetic phenomena in closed-shell paramagnetic molecules”, Physical Chemistry Chemical Physics 11, 5489 (2009). .
49. E. I. Tellgren, A. Soncini and T. Helgaker, “Non-perturbative ab initio calculations in strong magnetic fields using London orbitals”, The Journal of Chemical Physics 129, 154114 (2008).
50. A. Soncini, A. M. Teale, T. Helgaker, F. De Proft and D. J. Tozer, “Maps of current density using density-functional methods”, The Journal of Chemical Physics 129 , 074101 (2008).
51. A. Soncini and L. F. Chibotaru, “Toroidal magnetic states in molecular wheels: Interplay between isotropic exchange interactions and local magnetic anistoropy”, Physical Review B 77, 220406(R) (2008). Rapid communication.
52. L. F. Chibotaru, L. Ungur, and A. Soncini, “Origin of non-magnetic Kramers Doublet in the ground state of Dysprosium Triangles: Evidence for Toroidal Magnetic Moment”, Angewandte Chemie International Edition 47, 4126 (2008).
53. A. Soncini, P. W. Fowler, C. Lepetit and R. Chauvin, “Aromaticity of ring carbomers of [N]annulenes and [N]cycloalkanes, Physical Chemistry Chemical Physics 10, 957 (2008).
54. P. Lazzeretti, A. Soncini and R. Zanasi, “Response tensors for chiral discrimination in NMR spectroscopy”, Theoretical Chemistry Accounts 119, 99 (2008).
55. A. Soncini and P. W. Fowler, “Ring current aromaticity in open-shell molecules”, Chemical Physics Letters 450, 431 (2008).
56. A. Soncini, “Charge and Spin currents in open-shell molecules: a unified approach to EPR and NMR observables”, Journal of Chemical Theory and Computation 3, 2243 (2007).
57. A. Soncini and L. F. Chibotaru, “Mechanisms of spin-mixing instabilities in antiferromagnetic molecular wheels”, Physical Review Letters 99, 077204 (2007).
58. S. Clima, M. F. A. Hendrickx, L. F. Chibotaru, A. Soncini, V. Mironov and A. Ceulemans, “Effect of the metal environment on the ferromagnetic interaction in the Co-NC-W pairs of octacyanotungstate(V)-cobalt(II) three-dimensional networks”, Inorganic Chemistry 46, 2682 (2007).
59. E. Steiner, P. W. Fowler, A. Soncini and L. W. Jenneskens, “Current-density maps as probes of aromaticity: Global and Clar ring currents in totally resonant polycyclic aromatic hydrocarbons”, Faraday Discussions, 135, 309 (2007).
60. E. Steiner, A. Soncini and P. W. Fowler, “Full spectral decomposition of ring currents”, Journal of Physical chemistry A 110, 12882 (2006).
61. P. W. Fowler, A. Rogoswska, A. Soncini, M. Lillington and L. P. Olson “Currents in tangentially p-p bonded -aromatic systems”, Journal of Organic Chemistry 71, 6459 (2006).
62. A. Soncini, R. G. Viglione, R. Zanasi, P.W. Fowler and L. W. Jenneskens “Efficient mapping of ring currents in fullerenes and other curved carbon networks”, Comptes Rendus Chimie 9, 1085 (2006).
63. A. Soncini, P. Lazzeretti and R. Zanasi “Invariance of magnetic field induced current density to a continuous transformation of the origin of the coordinate system”, Chemical Physics Letters 421, 21 (2006).
64. A. Soncini and P. Lazzeretti “Critique of the multipath nuclear spin-spin coupling concept for 1J(C,C) based on models of electronic current induced by 13C nuclear magnetic dipoles in ethane, cyclopropane, and bicyclobutane”, ChemPhysChem 7, 679 (2006).
65. J. Baker, P. W. Fowler, A. Soncini and M. Lillington “Rare gas insertion compounds of perfluorobenzene: aromaticity of some unstable species” The Journal of Chemical Physics 123, 174309 (2005).
66. E. Steiner, A. Soncini and P. W. Fowler “Ring currents in the porphyrines: π-shielding, delocalisation pathways and the central cation” Organic & Biomolecular Chemistry 3, 4053-4059 (2005).
67. F. Faglioni, A. Ligabue, S. Pelloni, A. Soncini, R. G. Viglione, M. B.Ferraro, R. Zanasi, and P. Lazzeretti “Why Downfield Proton Chemical Shifts Are Not Reliable Aromaticity Indicators” Organic Letters 7, 3457 (2005).
68. A. Soncini and P. Lazzeretti, “Interpretation of the vicinal spin-spin coupling in ethane via the current density induced by nuclear magnetic dipoles”, Chemical Physics Letters 409, 177 (2005).
69. A. Soncini, P.W. Fowler and F. Zerbetto, “Electric-field perturbations of ring currents in -systems”, Chemical Physics Letters 405, 136 (2005).
70. A. Soncini, C. Domene, J. J. Engelberts, P. W. Fowler, A. Rassat, J. H. van Lenthe, R. W. A. Havenith and L. W. Jenneskens, “A unified orbital model of delocalised and localised currents in monocycles, from annulenes to azabora-heterocycles”, Chemistry-A European Journal 11, 1257 (2005).
71. A. Soncini, P.W. Fowler, P. Lazzeretti and R. Zanasi, “Ring-current signatures in shielding-density maps”, Chemical Physics Letters 401, 164-169 (2005).
72. A. Soncini and P. W. Fowler, “Non-linear ring currents: effect of strong magnetic fields on -electron circulation”, Chemical Physics Letters 400, 213-220 (2004).
73. A. Soncini, P.W. Fowler and L. W. Jenneskens, “A parity rule for ring currents in -clamped monocycles”, Physical Chemistry Chemical Physics 6, 4921-4923 (2004).
74. F. Faglioni, A. Ligabue, S. Pelloni, A. Soncini and P. Lazzeretti, “Molecular response to a time-independent non-uniform magnetic-field”, Chemical Physics 304, 289-299 (2004).
75. P. W. Fowler, C. W. Rees and A. Soncini, “Aromaticity of Organic Heterocyclothiazenes and Analogues”, The Journal of the American Chemical Society 126, 11202-11212 (2004).
76. A. Soncini and P. W. Fowler, “Ipsocentric and Allocentric methods of mapping induced current density”, Chemical Physics Letters 396, 174-181 (2004).
77. R. W. A. Havenith, L. W. Jenneskens, P. W. Fowler and A. Soncini, “Which -clamped monocycles exhibit ring current?”, Organic & Biomolecular Chemistry 2, 1281 (2004).
78. G. A. Burley, A. G. Avent, I. V. Gol'dt, P. B. Hitchcock, H. Al-Matar, D. Paolucci, F. Paolucci, P. W. Fowler, A. Soncini, J. M. Street and R. Taylor, “Design and synthesis of multi-component 18 annulenic fluorofullerene ensembles suitable for donor-acceptor applications”, Organic & Biomolecular Chemistry 2, 319 (2004).
79. A. Soncini, P. W. Fowler and L. W. Jenneskens, “Ring currents in large [4n+2] annulenes”, Physical Chemistry Chemical Physics 6, 277 (2004).
80. A. Soncini, P. Lazzeretti, V. Bakken and T. Helgaker, “Calculation of the electric dipole hypershieldings at the nuclei in the Hellmann-Feynman approximation”, The Journal of Chemical Physics 120, 3142 (2004).
81. P. W. Fowler and A. Soncini, “Aromaticity, polarisability and ring current”, Chemical Physics Letters 383, 507 (2003).
82. G. A. Burley, P. W. Fowler, A. Soncini, J. P. B. Sandall and R. Taylor, “A diatropic ring current in a fluorofullerene trannulene”, Chemical Communications 3042 (2003).
83. A. Soncini, F. Faglioni and P. Lazzeretti, “Parity-violating contributions to nuclear magnetic shielding”, Physical Review A 68, 033402 (2003).
84. A. Soncini, E. Steiner, P. W. Fowler, R. W. A. Havenith and L. W. Jenneskens, “Perimeter effects on ring currents in polycylic aromatic hydrocarbons: Circumcoronene and two hexabenzocoronenes”, Chemistry-A European Journal 9, 2974 (2003).
85. S. Pelloni, F. Faglioni, A. Soncini, A. Ligabue and P. Lazzeretti, “Magnetic response of dithiin molecules: is there anti-aromaticity in nature?”, Chemical Physics Letters 375, 583 (2003).
86. A. Soncini and P. Lazzeretti, “Nuclear spin-spin coupling density functions and the Fermi hole”, Journal of Chemical Physics 119, 1343 (2003).
87. A. Soncini and P. Lazzeretti, “Nuclear spin-spin coupling density in molecules'', Journal of Chemical Physics 118, 7165 (2003).
88. R. Soriano Jartin, A. Ligabue, A. Soncini and P. Lazzeretti, “Ring Currents and Magnetic Properties of S-Indacene, an Archetypal Paratropic, Non Antiaromatic Molecule”, Journal of Physical Chemistry A, 106, 11806 (2002).
89. A. Soncini, R. W. Havenith, P. W. Fowler, L. W. Jenneskens and E. Steiner, “Control of the Diatropic -Ring Current in Strained Benzenes: Effects of Annelation with Cyclopropa, Cyclobuta and Cyclobutadieno Clamping Groups”, Journal of Organic Chemistry 67, 4753-4758 (2002).
90. P. W. Fowler, R. W. A. Havenith, L. W. Jenneskens, A. Soncini and E. Steiner, “Paratropic delocalized ring currents in flattened cyclooctatetraene systems with bond alternation”, Angewandte Chemie-International Edition 41, 1558-1560 (2002).
91. M. Gnani, P. Lazzeretti, A. Ligabue, U. Pincelli and A. Soncini, “An efficient Coupled Hartree-Fock Computational Scheme for Parity Violating Energy differences in enantiomeric Molecules”, Computer Physics Communications 144, 130-140 (2002).
92. A. Ligabue, A. Soncini and P. Lazzeretti, “The Leap-Frog effect of ring currents in Benzene”, The Journal of the American Chemical Society 124, 2008-2014 (2002).
93. P.W. Fowler, R.W.A. Havenith, L.W. Jenneskens, A. Soncini and E. Steiner, ”Survival and extinction of delocalised ring currents in clamped benzenes”, Chemical Communications 2386-2387 (2001).
94. A. Soncini, P.W. Fowler, I.Cernusak and E. Steiner, “C6h-Hexa-azahexaborine, [(CH)BN]6: structure and magnetic properties of a proposed 18-electron aromatic ring” Physical Chemistry Chemical Physics, 3, 3920-3923 (2001).
95. P. W. Fowler, P. Hansen, G. Caporossi and A. Soncini, “Polyenes with maximum HOMO-LUMO gap”, Chemical Physics Letters 342, 105-112 (2001).
96. A. Soncini, A. Ligabue, P. Lazzeretti and R. Zanasi, “Parity-Violating Effects in Asymmetric Chemical Reactions: a Theoretical Study on the CHFClBr Molecule”, Physical Review E 62, 8395-8399 (2000).
97. R. Zanasi, P. Lazzeretti, A. Ligabue and A. Soncini, “Theoretical results which strengthen the hypothesis of electroweak bioenantioselection”, Physical Review E 59, 3382 (1999).
Book chapters:
98. K. Hymas, A. Soncini, “Quantum Toroidicity in Single-Molecule Toroics: A Unifying Model Based on Heisenberg Spin Rings”, Chapter 6 (pp. 189-232) in Single Molecule Toroics: Synthetic Strategies, Theory and Applications, K. Murray Ed., Springer International Publishing, 2022
99. K. S. Murray, S. K. Langley, K. R. Vignesh, K. Hymas, A. Soncini, “Mixed d-f block Single-Molecule Toroics”, Chapter 2 (pp. 15-66) in Single Molecule Toroics: Synthetic Strategies, Theory and Applications, K. Murray Ed., Springer International Publishing, 2022
100. K. S. Murray, K. R. Vignesh, K. Hymas, A. Soncini, “Introduction to Single-Molecule Toroics”, Chapter 1 (pp. 1-13) in Single Molecule Toroics: Synthetic Strategies, Theory and Applications, K. Murray Ed., Springer International Publishing, 2022
101. A. Soncini, P. W. Fowler and L. W. Jenneskens “Angular momentum and spectral decomposition of ring currents: aromaticity and the annulene model”, Structure & Bonding 115, 57-79 (2005).
102. R. Zanasi, P. Lazzeretti, A. Ligabue and A. Soncini, “On the stabilization of natural L--amino acids and D-sugars via parity-violating effects'', Advances in Biochirality 29, 377-386 (1999) Elsevier.
Conference Proceedings:
103. K. K. Lee, T. Shiell, J. C. McCallum, R. Szymanski, A. Soncini, C. Boskovic and D. N. Jamieson, “Fewlayered Graphene growth by carbon implantation into polycrystalline Nickel substrate”, 2012 Conference on optoelectronic and microelectronic materials and devices, pages 173-174 (2012).
104. P. W. Fowler and A. Soncini, “Frontier orbital ring current and the annulene analogy”, Polycyclic Aromatic Compounds 24, 353-366 (2004).
E-mail Address : alessandro.soncini@unipd.it
Webpage (Research): http://www.sonciniresearchgroup.com/user/38
Webpage (ORCID) : https://orcid.org/0000-0002-6779-7304
RESEARCH OPPORTUNITIES
Education
2003: PhD in Theoretical Chemistry. Uni Modena & Reggio Emilia. Supervisor: Prof. P. Lazzeretti.
1999: Laurea in Chimica (cum laude). Uni Modena & Reggio Emilia. Supervisor: Prof. P. Lazzeretti & Prof. R. Zanasi.
Work Experience
• Nov 2022-present: Full-time Associate Professor, Department of Chemical Sciences, University of Padova (Italy).
• May 2022- Nov 2022: Associate Professor with double affiliation at: (i) Department of Chemical Sciences, University of Padova (Italy), & (ii) School of Chemistry, University of Melbourne (Australia).
• 2019-2022, ARC Future Fellow (research-focused fellowship from the Australian Research Council, equivalent to an ERC Consolidator Grant –funding > A$ 1M (A$ = Australian Dollars))
• 2019-2022, Associate Professor & Reader (tenured), School of Chemistry, University of Melbourne (Australia).
• 2015-2018, Senior Lecturer (tenured), School of Chemistry, University of Melbourne (Australia).
• 2011-2014, Lecturer (tenure-track), School of Chemistry, University of Melbourne (Australia).
• 2009-2010, Research Fellow of the Institute for Nanoscale Physics and Chemistry (KULeuven, Belgium).
• 2008-2009, Forsker (Researcher), Centre for Theoretical and Computational Chemistry, Uni Oslo (Norway).
• 2006-2007, Franqui postdoctoral fellow, Division of Quantum Chemistry (KULeuven, Belgium).
• 2003-2005, Postdoctoral researcher, School of Chemistry, University of Exeter (UK).
MAJOR RESEARCH GRANTS (CI = Chief Investigator)
• Australian Research Council (ARC) Discovery Grant DP210103208 ($330 K) (Lead & Sole CI: A. Soncini). Years: 2021-2024.
• LIEF Grant for the purchase of a Magnetometry Facility for Molecular and Nanoscale Materials, Grant LE210100009 (Lead CI: A/Prof Colette Boskovic, $ 620 K).
• Australian Research Council (ARC) Future Fellowship FT180100519 ($843 K) + University of Melbourne Establishment Grant ($200 K). Years: 2018-2022. Lead & Sole CI: A. Soncini.
• Australian Research Council (ARC) Discovery Grant DP170100034 ($403 K). Years: 2017-2020. Lead CI: A. Soncini (2019,2020), C. Boskovic (2017,2018).
• Australian Research Council (ARC) Discovery Grant DP150103254 ($445 K). Years: 2015-2018. (Lead CI: Soncini)
• External collaborator (non-EU) in 7th EU Framework STREP proposal FPT7-ICT-2013-10, MoQuaS: Molecular Quantum Spintronics (EUR 2 M, managed by the EU institutions). Years: 2013-2016.
• Fondation Francqui-Stichting Research Fellowship, sole investigator, prestigious Belgian fellowship funding De Soncini’s postdoctoral salary at Katholieke Universiteit Leuven (Belgium). Years: 2006-2008.
OTHER RESEARCH GRANTS (Internal grants & Experiment funding)
• Australian Centre for Neutron Scattering (formerly Bragg Institute), Neutron Beam Instrument time for a total of $280 K (in-kind). Years: 2018-2020.
• External collaborator (non-EU) in 7th EU Framework STREP proposal FPT7-ICT-2013-10, MoQuaS: Molecular Quantum Spintronics (EUR 2 M, managed by the EU institutions). Years: 2013-2016.
• McKenzie Fellowship, awarded by Uni. Mel. to Dr Van den Heuvel in Soncini’s research group Y: 2013-2015.
• Early Career Researcher Grant (A$40 K), awarded by University of Melbourne. Year: 2012.
• Selby Research Award ($14 K), awarded by the University of Melbourne. Year: 2011.
SCIENTIFIC ABILITATIONS
In 2012 I obtained three Italian Scientific Abilitations (ASN – Abilitazione Scientifica Nazionale) as Associate Professor (Professore Fascia II): in Inorganic Chemistry, in Physical Chemistry, and in Theoretical Condensed Matter Physics:
• Italian national scientific habilitation (ASN, bando 2012, DD n. 222/2012) as Associate Professor in Inorganic Chemistry (Fondamenti delle Scienze Chimiche e Sistemi Inorganici, 03/B1).
• Italian national scientific habilitation (ASN, bando 2012, DD n. 222/2012) as Associate Professor in Theoretical Condensed Matter Physics (Fisica Teorica della Materia, 02/B2).
• Italian national scientific habilitation (ASN, bando 2012, DD n. 222/2012) as Associate Professor in Physical Chemistry (Modelli e Metodologie per Le Scienze Chimiche, 03/A2).
PHD SUPERVISION (11 students led to completion)
• Dr Jared M. Ashtree, University of Melbourne, 06/02/2021. Thesis: “Magnetisation and Transport Dynamics of Nanomagnets with Toroidal Ground States”. Supervisors: A/Prof Alessandro Soncini (principal), A/Prof Colette Boskovic (co-supervisor) http://hdl.handle.net/11343/274960
• Dr Kieran Hymas, University of Melbourne, 24/09/2020. Thesis: “Quantum Spin Dynamics of Molecular Spintronics Devices Based on Single-Molecule Nanomagnets”. Supervisor (sole): A/Prof Alessandro Soncini http://hdl.handle.net/11343/243008
• Dr Shashank V. Rao, University of Melbourne, 02/02/2020. Thesis: “Development and Application of Theoretical Models for Molecular Magnetism”. Supervisor (sole): A/Prof Alessandro Soncini http://hdl.handle.net/11343/234024
• Dr Gemma K. Gransbury, University of Melbourne, 21/07/2019. Thesis: “Valence Tautomerism and exchange interactions in cobalt-dioxolene complexes”. Supervisors: A/Prof Colette Boskovic (principal), A/Prof Alessandro Soncini (co-supervisor). http://hdl.handle.net/11343/225780
• Dr Haibei Huang, University of Melbourne, 21/05/2018. Thesis: “Magnetic interactions between lanthanide single-molecule magnets and a magnetic substrate”. Supervisor (sole): Dr Alessandro Soncini http://hdl.handle.net/11343/214488.
• Dr Michele Vonci, University of Melbourne, 15/03/2018. Thesis: “Synthesis and investigation of polyoxometalate-supported lanthanoid single-molecule magnets”. Supervisors: A/Prof Colette Boskovic (principal), Dr. Alessandro Soncini (co-supervisor) http://hdl.handle.net/11343/213490
• Dr Simone Calvello, University of Melbourne, 21/01/2018. Thesis: “Theoretical characterization of electronic and magnetic properties of lanthanide single-molecule magnets”. Supervisor (sole): Dr. Alessandro Soncini http://hdl.handle.net/11343/197755
• Dr Xinli Zhang, University of Melbourne, 5/10/2017. Thesis: “A new Stokes-Einstein Relation for Size Determination of Nanoparticles”. Supervisors: Dr Angus Gray-Weale (former principal superv.), Dr Alessandro Soncini (principal superv. during last year)
• Dr Yecheng Zhou, University of Melbourne, 21/06/2017. Thesis: “Theoretical Studies of Perovskite Solar Cells”. Supervisors: Dr Angus Gray-Weale (former principal superv.), Dr Alessandro Soncini (principal superv. during last year)
• Dr Mayouan Liu, University of Melbourne, 2015. Thesis: “Predicting the Thermodynamic Properties of Liquids from Computer Simulation”. Supervisors: Dr Angus Gray-Weale (former principal superv.), Dr Alessandro Soncini (principal superv. during last year)
• Dr Erik Tellgren, University of Oslo, 28/12/2009. Thesis: “Quantum-chemical method development for extended and magnetic systems”. Supervisors: Prof. Trygve Helgaker (principal), Prof. K. Ruud (co-supervisor), Dr. Alessandro Soncini (co-supervisor)
http://www.mn.uio.no/forskning/aktuelt/arrangementer/disputaser/2005-2010/tellgren-erik.html
RESEARCH ACTIVITY
104 publications, of which: 97 journal articles; 5 book chapters; 2 peer-reviewed conference proceedings.5,024
Google Scholar (GS): 6035 citations, h-index = 38. Web of Science (WoS): 5024 citations, h-index 34
I have supervised 4 postdoctoral researchers, and supervised or co-supervised 11 PhD, 5 MSc, and 3 Honours students. Below is a brief description of our main contribution to four areas of interest to our research activity:
1.Magnetic anisotropy and slow spin relaxation in single-molecule magnets: We are interested in the theoretical/computational simulation and analysis of the electronic structure, magnetic anisotropy and spin dynamics of strongly correlated and strongly spin-orbit coupled lanthanide SMMs. Our own work exposed quantitatively the relationships between the asphericity of the 4f electron density and magnetic anisotropy (see our Nature Comm. (2013) 4, 2551), and led to the first observation of a aspherical 4f-electron density distribution in synchrotron X-Ray Diffraction experiments, from the theoretical analysis of which it was unveiled an unexpected MJ-decomposition (multiconfigurational character) of the degenerate ground state (see our Nature Chemistry (2020),12, 213). We also developed an approach to the direct simulation of the dissipative spin dynamics in polynuclear Ln(III) SMMs, reproducing experimental single-crystal hysteresis of the magnetization (see our Nature Comm. (2017) 8, 1023).
2.Development of ab initio methods for strongly correlated and strongly spin-orbit coupled 4f-states in Rare Earth Complexes: We ideated, developed, and implemented from scratch the multiconfigurational scalar-relativistic quantum chemistry ab initio code CERES (Computational Emulator of Rare Earths Systems), specialized in the calculation of crystal field states, magnetic excitations and magnetic properties of Ln-SMMs. The code is based on novel algorithms proposed by us and shown to be more efficient than what available from commercial codes (see our J. Comp. Chem. (2018) 39, 328; but also our PCCP (2016) 18, 15807). The code implements the first Cholesky decomposition of two-electron spin-orbit integrals (see J. Comp. Chem. (2017), 38, 2775; see also https://doi.org/10.26434/chemrxiv.11858370.v1), and recent developments include a multiconfigurational ab initio fragment approach to the 4f states in Ln(III) complexes (see https://doi.org/10.26434/chemrxiv.11858346). As evidence of the impact of our contribution, our methods were also implemented in the commercial code MOLPRO (see P. Hallmen et al. J. Chem. Phys. (2017) 147, 164101).
3.Theory of NMR for molecular ground states of arbitrary degeneracy: We developed a novel theoretical framework and ab initio computational strategy to evaluate the paramagnetic NMR nuclear shieldings for molecules with a ground state of arbitrary degeneracy. More generally, we could define NMR molecular response properties in terms of analytical derivatives of an electronic free energy, which allow for a well-defined free-energy perturbation theory expansion (see our Phys. Rev. Lett. (2012) 109, 073001; but also our two papers: J. Chem. Phys. (2013) 138, both 021103 (Editor’s choice) & 054113). Leading researchers have adopted our theory as the SvH-model (Soncini-Van den Heuvel model), see e.g. Martin & Autschbach, J. Chem. Phys. (2015) 142, 054108. See also Flagship CECAM Workshop “Paramagnetic NMR in f elements” at https://www.cecam.org/workshop-details/1043 , Toulouse, Nov. 2021. We have recently formulated a theory of chiral discrimination via pulsed NMR spectroscopy for molecules with a ground state of arbitrary degeneracy, based on the detection of a macroscopic chiral rotating electric polarization, which led to the prediction that NMR chiral discrimination can be achieved at room temperature (see our Phys. Rev. Lett. (2016) 116, 163001).
4.Toroidal moments, and molecular magnetism: We formulated a microscopic model leading to the prediction (see our Phys. Rev. B (2008) 77, 220406) and discovery (see our Angew. Chemie Int. Ed. (2008) 47, 4126) of special combinations of chiral spin states in molecular spin rings, known as molecular toroidal states. We also identified coupled configurations of chiral spin states in CrDy6 double-triangles called ferrotoroidic states and studied their effect on hysteresis spin dynamics (see our Nature Comm. (2017) 8, 1023 and Eur. J. Inorg. Chem. (2021) 5, 435), and clarified the emergence of states that can sustain toroidal polarization also in the weak spin-orbit coupling regime as a result of spin frustration in spin triangles (see Phys. Rev. B (2018) 98, 094417; and Physica B: Phys. Cond. Mat. (2020) 592, 412237).
OTHER ACHIEVEMENTS
Prizes, Honours and Awards
• 2020/2021 Visiting Professorship, University of Modena, Italy.
• 2019 Visiting Professorships, University of Padova, Italy & University of Modena, Italy.
• 2015 Dean’s Award for Excellence in Research (Teaching & Research), University of Melbourne.
• 2011 Selby Research Award, University of Melbourne.
• 2006 Francqui-Stichting Foreign Postdoctoral Mandate, Fondation Francqui-Stichting (Belgium).
Selected Invited Speaker Addresses (since 2016)
• CECAM (Centre Européen de Calcule Atomique et Moléculaire) Workshop: Paramagnetic NMR in f elements, Nov. 21-24, 2021, Toulouse (France, see https://www.cecam.org/workshop-details/1043). Invited by organisers Prof. Hélène Bolvin (Université Paul Sabatier, Toulouse, France) and Prof. Jochen Autschbach (Univeristy of Buffalo, USA).
• Universität Bielefeld (Germany), Condensed Matter Theory Group Seminars, 8 April 2021 (see https://www2.physik.uni-bielefeld.de/condmat_seminar.html). Invited by Prof. Dr. Jürgen Schnack, Fakultät für Physik, Universität Bielefeld (Germany).
• RACI PhysChem Webinar, 18 Nov. 2020 (delivered a Zoom seminar for the RACI PhysChem community). Invited by Dr. Laura McKemmish, University of New South Wales (Sydney, Australia).
• PACIFICHEM 2020 (now moved to Dec 2021): symposium “New Frontiers in Fundamental Science of Molecular Chirality” Honolulu (Hawaii), Dec. 2020. Invited by Prof. Takamasa Momose, Prof. Brooks H. Pate and Prof. Yasuhiro Ohshima.
• APATCC9 (2019): 9th Conference of the Asian-Pacific Association of Theoretical and Computational Chemist, Oct. 2019, Sydney (Australia).
• APATCC8 (2017): 8th Conference of the Asia-Pacific Conference of Theoretical and Computational Chemistry, 15-18 December 2017, Indian Institute of Technology, Bombay (India).
• ANZMAG-2017: 11th Conference of the Australian and New-Zealand Society for Magnetic Resonance, 2-6 Dec, Kingscliff, New South Wales (Australia).
• SANZOMAG Southampton-Australian-New Zealand-Otago Workshop on Molecular Magnetism, Dunedin, New Zealand, February 2017
• EUROMAR 2016: Workshop “pNMR: The roots of the matter. Foundations and future challenges for theory and experiments of paramagnetic NMR”, July 2016, Aarhus, Denmark.
Representative Publications
• C. Gao, A. Genoni, S. Gao, S. Jiang, A. Soncini, J. Overgaard, Observation of the asphericity of 4f-electron density and its relation to the magnetic anisotropy axis in Single-Molecule Magnets, Nature Chemistry 2020, 12, 213-219. Cited 40 times.
• S. Calvello, M. Piccardo, S. V. Rao, A. Soncini, CERES: An ab initio code dedicated to the calculation of the electronic structure and magnetic properties of Ln complexes. J. Comp. Chem. 2018, 39, 328. Cited 19 times.
• KR Vignesh, A Soncini, SK Langley, W Wernsdorfer, KS Murray, G Rajaraman, Ferrotoroidic ground state in a heterometallic CrDy6 complex displaying slow magnetic relaxation. Nature Comm. 2017, 8,1023. Cited 83 times.
• W. Van den Heuvel, S. Calvello, A. Soncini, Configuration-averaged 4f orbitals in ab initio calculations of low-lying crystal field levels in lanthanide(III) complexes. Phys. Chem. Chem. Phys. 2016, 18, 15807. Cited 22 times.
• A. Soncini and S. Calvello, “Room Temperature Chiral Discrimination in Paramagnetic NMR Spectroscopy”, Physical Review Letters 2016, 116, 163001. Cited 11 times.
• N. F. Chilton, D. Collison, E. J. L. McInnes, R. E. P. Winpenny, A. Soncini, An electrostatic model for the determination of magnetic anisotropy in dysprosium complexes. Nature Comm. 2013, 4, 2551. Cited 523 times.
• N. F. Chilton, R: P. Anderson, L. D. Turner, A. Soncini, K. S. Murray, PHI: A powerful new program for the analysis of anisotropic monomeric and exchange-coupled polynuclear d- and f-block complexes. J. Comp. Chem. 2013 34, 1164. Cited 1558 times.
• A. Soncini and W. Van den Heuvel, “Communication: Paramagnetic NMR chemical shift in a spin state subject to zero-field splitting”, The Journal of Chemical Physics 2013, 138, 021103. Editors’ Choice 2013. Cited 61 times.
• W. Van den Heuvel and A. Soncini, “NMR chemical shift in an electronic state with arbitrary degeneracy”, Physical Review Letters 2012, 109, 073001. Cited 80 times.
• L. F. Chibotaru, L. Ungur, A. Soncini, The origin of nonmagnetic Kramers doublets in the ground state of dysprosium triangles: evidence for a toroidal magnetic moment. Angew. Chemie Int. Ed. 2008, 120, 4194. Cited 639 times.
TEACHING ACTIVITY
Since I started my Teaching & Research academic position at the University of Melbourne in 2011, where I have taught till 2021 with no interruption both undergraduate and graduate Chemistry courses across all four years. Due to the local teaching-load model (the so-called "Melbourne Model"), all chemistry courses work via team-teaching. Since 2022 I moved to the University of Padova, where I am teaching two first-year undergraduate General Chemistry courses (6+4 CFU)), and will be teaching from next year one MSc-level (Laurea Magistrale) optional course (6CFU) on Advanced Computational Inorganic Chemistry.
Department of Chemical Sciences, University of Padova (2022-present)
2022:
IF0320 Chimica Generale e Inorganica e Chimic Fisica (Scienze e Tecnologie Ambientali). 6 CFU
SC1168 Chimica Generale e Inorganica (Ottica e Optometria): 4 CFU.
School of Chemistry, University of Melbourne (2011-2021)
2021:
CHEM 20020 Structure & Properties: Symmetry in Chemistry module. – 3 CFU
CHEM 30014 Specialized Topics in Chemistry B: Quantum Mechanics in Chemistry module 3 CFU
CHEM 30016 Reactivity & Mechanisms - Module of 3 CFU.
2020:
CHEM 20020 Structure & Properties: Symmetry in Chemistry - 3 CFU.
CHEM 30016 Reactivity & Mechanisms - Module of 3 CFU.
CHEM 30014 Specialized Topics in Chemistry B: Quantum Mechanics in Chemistry module 3 CFU.
CHEM 90010/18 MSc/Hons: Magnetism in Chemistry - module of 2 CFU.
2019:
CHEM 20020 Structure & Properties: Symmetry in Chemistry - 3 CFU.
CHEM 30014 Specialized Topics in Chemistry B: Quantum Mechanics in Chemistry module 3 CFU.
CHEM 90010/18 MSc/Hons : Magnetism in Chemistry - module of 2 CFU.
2018:
CHEM 10004 Chemistry 2 second semester: 3 CFU.
CHEM 20020 Structure & Properties: Symmetry in Chemistry 3 CFU.
CHEM 30016 Reactivity & Mechanisms: module 3 CFU.
CHEM 30014 Specialized Topics in Chemistry B: Quantum Mechanics in Chemistry module 3 CFU.
CHEM 30015 Advanced Practical Chemistry (4 lab sessions, plus prac marking)
CHEM 90010/18 MSc/Hons: Magnetism in Chemistry 2 CFU
2017:
CHEM 10004 Chemistry 2 second semester: 3 CFU.
CHEM 20020 Structure & Properties: Symmetry in Chemistry 3 CFU.
CHEM 30014 Specialized Topics in Chemistry B: Quantum Mechanics in Chemistry module 3 CFU
CHEM 30016 Reactivity & Mechanisms: 3 CFU
CHEM 30015 Advanced Practical Chemistry (4 lab sessions, plus prac marking)
2016:
CHEM 10004 Chemistry 2 second semester: 3 CFU.
CHEM 20020 Structure & Properties: Symmetry in Chemistry 3 CFU.
CHEM 30014 Specialized Topics in Chemistry B: Quantum Mechanics in Chemistry module 3 CFU
CHEM 30016 Reactivity & Mechanisms: 3 CFU
CHEM 90010/18 MSc/Hons: Magnetism in Chemistry 2 CFU
2015:
CHEM 10004 Chemistry 2 summer semester Jan-Feb 2016 3 CFU.
CHEM 10004 Chemistry 2 second semester (tutorials only, Physical Chemistry module) 2 CFU.
CHEM 10004 Chemistry 2 second semester (10 lab sessions/senior demonstrator)
CHEM 20020 Structure & Properties: Symmetry in Chemistry 3 CFU.
CHEM 30014 Specialized Topics in Chemistry B: Quantum Mechanics in Chemistry module 3 CFU.
CHEM 90010/18 MSc/Hons: Magnetism in Chemistry 2 CFU.
2014:
CHEM 10004 Chemistry 2 summer semester Jan-Feb 2015.
CHEM 20020 Structure & Properties: Symmetry in Chemistry 3 CFU.
CHEM 20018 Reaction & Synthesis (tutorials).
CHEM 30014 Specialized Topics in Chemistry B: Quantum Mechanics in Chemistry module 3 CFU..
CHEM 30016 Reactivity & Mechanisms: module 3 CFU.
CHEM 90010/18 MSc/Hons: Magnetism in Chemistry 2CFU.
2013:
CHEM 10003 Chemistry 1 (tutorials only)
CHEM 10004 Chemistry 2 summer semester Jan-Feb 2014 3 CFU.
CHEM 20020 Structure & Properties: Symmetry in Chemistry 3 CFU
CHEM 20018 Reaction & Synthesis (tutorials only).
CHEM 30014 Specialized Topics in Chemistry B: Quantum Mechanics in Chemistry module 3 CFU.
CHEM 30016 Reactivity & Mechanisms: 3 CFU.
CHEM 90010/18 MSc/Hons: Magnetism in Chemistry 2 CFU.
2012:
CHEM 10003 Chemistry 1 (tutorials only)
CHEM 10004 Chemistry 2 summer semester Jan-Feb 2013 (tutorials only).
CHEM 20020 Structure & Properties: Symmetry in Chemistry 3 CFU.
CHEM 20018 Reaction & Synthesis:module 3 CFU.
CHEM 30014 Specialized Topics in Chemistry B: Quantum Mechanics in Chemistry module 3 CFU.
CHEM 90010 MSc/Hons: Magnetism in Chemistry. 2CFU
2011:
CHEM 10004 Chemistry 2 summer semester Jan-Feb 2012 (tutorials only, 2CFU).
CHEM 20018 Reaction & Synthesis (tutorials only, 2CFU).
CHEM 20020 Structure & Properties: Symmetry in Chemistry. 3CFU
CHEM 30014 Specialized Topics in Chemistry B: Quantum Mechanics in Chemistry module (3 CFU).
Other teaching activities:
- May 2021: Appointed Visiting Professor at the Department of Physics of the University of Modena, School of Physics and Nanoscience, and CNR Nano Institute, to deliver 12 lectures for PhD students (due to travel restrictions we are arranging for online/Zoom delivery).
- Feb 2019-May 2019: Appointed Visiting Professor at the Department of Physics of the University of Modena and CNR Nano Institute (Institute of Nanoscience), to teach a graduate course on molecular magnetism within the PhD course within the School of Physics and Nanoscience (full-semester course, 30 contact hours between lectures and computer lab activities).
- Dec 2014-May 2015: Appointed Visiting Professor at the Department of Physics of the University of Modena and CNR Nano Institute (Institute of Nanoscience), to teach a graduate course on molecular magnetism within the PhD course in Physics and Nanoscience (full-semester course, 30 contact hours, mostly lectures).
- September 2009: Lecturer for the module “Theoretical models for coherent transport in carbon nanostructures” (8 lectures) within the 4th European Master in Theoretical Chemistry and Computational Modelling TCCM, at the K. U. Leuven (Belgium).
- Mar - Jun 2008: Lecturer for the MSc course subject “Molecular Properties” KJM5610, 45 contact hours (30 lectures & 15 tutorials) on the theory of molecular spectroscopies, University of Oslo (Norway).
SERVICE TO THE PROFESSION (COMMISIONS OF TRUST, EDITORIAL BOARDS, REVIEWER ACTIVITY)
Commissions of Trust
2017 – 2021: While in Melbourne, I served as a foreign member of the School Council (Collegio Docenti) of the Physics and Nanosciences School of Graduate Studies, of the University of Modena and Reggio Emilia (Italy).
http://www.nano-phdschool.unimore.it/site/home/organization.html
Editorial Boards
- Editorial Board Member, Magnetochemistry (Indexed in Scopus, Impact Factor: 3.336, Citescore: 3.0)
- Associate Editor, Frontiers in Chemistry, Theoretical and Computational Chemistry section (Indexed in Scopus, Impact Factor: 5.545, Citescore: 4.1)
Regular Reviewer for Peer-Reviewed Journals, regularly including top Impact Factor Journals
I regularly review articles for various chemistry and physics journals, including Nature Chemistry, Nature Communications, Journal of the American Chemical Society, ACS Central Science, Angewandte Chemie International Edition, Chemical Science, Physical Review (Letters, A, and B), Journal of Chemical Physics, Physical Chemistry Chemical Physics, Dalton Transactions, Journal of Physical Chemistry (Letters and A), Journal of Chemical Theory and Computations, Inorganic Chemistry, Chemistry – A European Journal, Chemistry – An Asian Journal, Advanced Functional Materials, Journal of Applied Physics.
Regular Reviewer of Grant Applications
Each year I serve as reviewer for various National and International Funding Agencies, such as ARC - Australian Research Council; ANSTO - Australian Nuclear Science and Technology Organisation; ERC - European Research Council; and Science Academies from various countries including Canada, France and Finland. For instance, I have very recently served as reviewer for the following projects:
• Appointed as Remote Referee for European Research Council (ERC) – regular reviewer for ERC Starting Grants (one per year since 2018).
• NWO Dutch Research Council (start in 2021).
• US Department of Energy, Office of Basic Energy Sciences (BES) (start in 2021).
• Projet de Recherche Collaborative (PRC) for the Agence National de la Recherche (ANR), France.
• Research Proposals for the Frontier Research in Chemistry Foundation, France.
• Discovery Grant Applications for the Natural Sciences and Engineering Research Council of Canada (NSERC);
• Academy Research Fellow Proposals for the Academy of Finland.
• Discovery Project Grants, DECRA and Future Fellowship applications for the Australian Research Council (ARC), typically two or three per year (one DECRA and one DP project in 2020).
• Several Inelastic Neutron Scattering instrument applications (~4 projects per year) for the Australian Nuclear Science and Technology Organisation (ANSTO).
University of Padova:
Administrative & Service roles in University committees:
- Chemistry representative on University HPC Focus Group planning a Uni Padova HPC centre.
Administrative & Service roles within the Department of Chemical Sciences:
- Member of the work group developing a new MSc stream in Data-Driven Chemistry
- Member of a work group developing a Master in Machine Learning in Chemistry
University of Melbourne:
Administrative & Service roles within the Faculty of Science:
- Academic Advisor (2020-present)
- Member of the Graduate School Academic Program Committee (2016-2018)
- Chair of the Faculty of Science IT committee (2014)
- Member of Faculty of Science IT committee (2013)
Administrative & Service roles within the School of Chemistry:
- Member of two Selection Panels to hire Level B/C academic staff in Theoretical Chemistry (2018, 2019)
- Coordinator of MSc/Hons course in Chemistry (2016-2018)
- Member of the School Academic Program Committee (2016-2018)
- Member of the Student-Staff Liaison Committee (2015-2018)
- Member of the School of Chemistry Research Committee (2014)
- Coordinator of the Physical Chemistry Seminars (2012- 2013)
- Member of the Academic Standing Committee (2016 – present)
PhD Review Panels:
I am (or have been) member or chair for PhD Confirmation and Progress Review Panels for several (> 20) PhD Students.
FULL LIST OF PUBLICATIONS
Journal Articles:
1. A. M. Atkin, M. J. Giansiracusa, S. Calvello, E. Rousset, R. W. Gable, W. Phonsri, K. S. Murray, J. K. Howard, A. Soncini, R. Mole, C. Boskovic, “Inelastic neutron scattering measurement of the ground state tunneling gap in Tb and Ho analogues of a Dy Field-Induced Single-Molecule Magnet”, Inorganic Chemistry 62, 1141 (2023).
2. M. A Dunstan, M. J. Giansiracusa, M. Vonci, S. Calvello, D. Yu, A. Soncini, C. Boskovic, R. Mole, “Direct observation of magnetoelastic coupling in a molecular spin qubit: new insights from crystal field neutron scattering data”, Chemical Science 14, 3990 (2023).
3. E. Rousset, M. Piccardo, R.W. Gable, M. Massi, L. Sorace, A. Soncini, C. Boskovic, “Elucidation of LMCT Excited States for Lanthanide Complexes: A Theoretical and Solid-State Experimental Framework”, Inorganic Chemistry 61, 14004 (2022).
4. K. Hymas, A. Soncini, “The Role of Magnetic Dipole-Dipole Coupling in Quantum Single-Molecule Toroics”, Magnetochemistry 8, 58 (2022).
5. S. V. Rao, M. Piccardo, A. Soncini, “Study of the most relevant spin-orbit coupling descriptions of magnetic excitations in a series of lanthanide complexes”, Phys. Chem. Chem. Phys. 24, 9007 (2022).
6. A. Soncini, M. Piccardo, “Ab initio non-covalent crystal field theory for lanthanide complexes: a multiconfigurational non-orthogonal group function approach“, Phys. Chem. Chem. Phys. 24, 18915 (2022).
7. K. Hymas, A. Soncini, “Disentangling 4f-radical coupling and dissipative Landau-Zener quantum tunneling in a continuously measured single-ion magnet spin transistor”, Phys. Rev. B 104, 205306 (2021)
8. J. M. Ashtree, I. Borilovic, K. R. Vignesh, A. Swain, S. H. Hamilton, Y. L. Whyatt, S. L. Benjamin, W. Phonsri, C. M. Forsyth, W. Wernsdorfer, A. Soncini, G. Rajaraman, S. K. Langley, K. S. Murray “Tuning the ferrotoroidic coupling and magnetic hysteresis in double-triangle complexes {Dy3MIIIDy3} via the MIII linker”, European Journal of Inorganic Chemistry 5, 435 (2021) – online access December 2020. We made the Journal front cover!
9. K. Hymas, A. Soncini, “Origin of the hysteresis of magnetoconductance in a supramolecular spin-valve based on a TbPc2 single-molecule magnet”, Phys. Rev. B 102, 125310 (2020).
10. K. Hymas, A. Soncini, “Mechanisms of spin-charge conversion for the electrical radout of 4f quantum states in a TbPc2 single-molecule magnet spin transistor”, Phys. Rev. B 102, 045313 (2020).
11. S. V. Rao, J. Ashtree, A. Soncini, “Toroidal moment in a family of spin-frustrated heterometallic triangular nanomagnets without spin-orbit coupling: applications in a molecular spintronics device”, Physica B: Physics of Condensed Matter 102, 125310 (2020).
12. S. Calvello, A. Soncini, “Effect of magnetic anisotropy on direct chiral discrimination in paramagnetic NMR spectroscopy”, Phys. Chem. Chem. Phys. 22, 8427-8441 (2020) https://doi.org/10.1039/D0CP00539H. (2020 PCCP HOT Article)
13. Chen Gao, Alessandro Genoni, Song Gao, Shangda Jiang, A. Soncini, Jacob Overgaard, “Observation of the asphericity of 4f-electrondensity and its relation to the magnetic anisotropy axis in single-molecule magnets”, Nature Chemistry 12, 213-219 (2020) (published online: 16 December 2019).
14. Matteo Piccardo, A. Soncini, Patrick W Fowler, Guglielmo Monaco, Riccardo Zanasi, “Design of annulene-within-an-annulene systems by the altanisation approach. A study of altan-[n]-annulenes”, Phys. Chem. Chem. Phys. 22, 5476-5486 (2020) (2020 PCCP HOT Article).
15. Haibei Huang, Willem Van den Heuvel, A. Soncini, “Lanthanide-radical magnetic coupling in [LnPc2]0: Competing exchange mechanisms captured via ab initio multi-reference calculations”, Quantum Materials Research 1:e200003 (2020). Special Issue “Single Molecule Magnets - In Memory of Professor Alessandro Bencini. See preprint at https://arxiv.org/abs/2001.09420 . DOI: https://doi.org/10.20900/qmr20200003
16. Gemma K Gransbury, Marie-Emmanuelle Boulon, Richard A Mole, Robert W Gable, Boujemaa Moubaraki, Keith S Murray, Lorenzo Sorace, A. Soncini, Colette Boskovic, “Single-ion anisotropy and exchange coupling in cobalt(II)-radical complexes: insights from magnetic and ab initio studies”, Chemical Science 10, 8855-8871 (2019).
17. K. Hymas and A. Soncini, “Molecular spintronics using single-molecule magnets under irradiation”, Physical Review B 99, 245404 (2019).
18. J. M. Crabtree and A. Soncini, “Toroidal quantum states in molecular spin-frustrated triangular nanomagnets with weak spin-orbit coupling: Applications to molecular spintronics”, Physical Review B 98, 094417 (2018).
19. E. Rousset, M. Piccardo, M. E. Boulon, R. Gable, A. Soncini, L. Sorace and C. Boskovic, “Slow Magnetic Relxation in Lanthnaoid Crown Ether Complexes: Interplay of Raman and Anomalous Phonon Bottleneck Processes”, Chemistry – A European Journal 24, 14768 (2018).
20. O. El Bakouri, V. Postils, M. Garcia–Borr ́as, M. Duran, J. M. Luis, S. Calvello, A. Soncini, E. Matito, F. Feixas and M. Sola, “Metal Cluster Electrides: a new Type of Molecular Electrides with Delocalised Polyattractor Character”, Chemistry – A European Journal 24, 9853 (2018).
21. S. Calvello, M. Piccardo, S. V. Rao and A. Soncini, “CERES: An ab initio code dedicated to the calculation of the electronic structure and magnetic properties of lanthanide complexes”, Journal of Computational Chemistry 39, 328 (2018).
22. D. Komijani, A. Ghirri, C. Bonizzoni, S. Klyatskaya, E. Moreno-Pineda, M. Ruben, A. Soncini, M. Affronte, and S. Hill, “Radical-lantanide ferromagnetic interaction in a TbIII bis-phthalocyaninato complex”, Physical Review Materials 2, 024405 (2018). Editor’s Choice.
23. K. R. Vignesh, A. Soncini, S. K. Langley, W. Wernsdorfer, K. S. Murray, G. Rajaraman, “Ferrotoroidic ground state in a heterometallic CrDy6 complex displaying slow magnetic relaxation”, Nature Communications 8, 1023 (2017).
24. M. Piccardo and A. Soncini, “A full-pivoting algorithm for the Cholesky decomposition of two-electron repulsion and spin-orbit coupling integrals”, Journal of Computational Chemistry 38, 2775 (2017).
25. A. Brown, M. Saber, W. Van den Heuvel, K. Schulte, A. Soncini, K. Dunbar, “Titanium(III) member of a the family of trigonal building blocks with scorpionate and cyanide ligands”, Inorganic Chemistry 56, 1031-1035 (2017).
26. M. Vonci, M.J. Giansiracusa, W. Van den Heuvel, R. W. Gable, B. Noubaraki, K. S. Murray, D. H. Yu, R. A. Mole, A. Soncini, C. Boskovic, “Magnetic excitations in polyoxotungstate single-molecule magnets: An inelastic neutron scattering and ab initio study”, Inorganic Chemistry 56, 378-394 (2017).
27. S. Marocchi, A. Candini, D. Klar, W. Van den Heuvel, H. Huane, F. Troiani, V. Corradini, R. Biagi, V. De Renzi, S. Klyatskaya, K. Kummer, N. B. Brookes, M. Ruben, H. Wende, U. Del Pennino, A. Soncini, M. Affronte, V. Bellini, “Relay-like exchange mechanism through a spin radical between TbPc2 molecules and graphene/Ni(111) substrates”, ACS Nano 10, 9353-9360 (2016).
28. A. Soncini and S. Calvello, “Room Temperature Chiral Discrimination in Paramagnetic NMR Spectroscopy”, Physical Review Letters 116, 163001 (2016).
29. W. Van den Heuvel, S. Calvello and A. Soncini, “Configuration averaged 4f-orbitals in ab initio calculations of low-lying crysal field levels in lanthanide(III) complexes”Physical Chemistry Chemical Physics 18, 15807 (2016).
30. A. Candini, D. Klar, S. Marocchi, V. Corradini, R. Biagi, V. de Renzi, U. del Pennino, F. Troiani, V. Bellini, S. Klyatskaya, M. Ruben, K. Kummer, N. B. Brookes, H. Huang, A. Soncini, H. Wende, M. Affronte, “Spin-communication channels between Ln(III) bis-phthalocyanines molecular nanomagnets and a magnetic substrate”, Scientific Reports 6, 21740 (2016).
31. M. J. Giansiracusa, M. Vonci, W. Van den Heuvel, R. W. Gable, B. Moubaraki, K. S. Murray, D. Yu, R. A. Mole, A. Soncini and C. Boskovic, “Carbonate-Bridged Lanthanoid Triangles: Single-Molecule Magnet Behavior, Inelastic Neutron Scattering, and Ab Initio Studies”, Inorganic Chemistry 55, 5201 (2016).
32. M. Vonci, M. J. Giansiracusa, R. W. Gable, W. Van den Heuvel, K. Latham, B. Moubaraki, K. S. Murray, D. Yu, R. A. Mole, A. Soncini, and C. Boskovic, “Ab initio calculations as a quantitative tool in the inelastic neutron scattering study of a single-molecule magnet analogue”, Chemical Communications 52, 2091 (2016).
33. A. Soncini and W. Van den Heuvel, “Complete spectrum of the infinite-U Hubbard ring using group theory”, The Journal of Chemical Physics 140 (2014), 184113.
34. W. Van den Heuvel and A. Soncini, “Dirac cones in the spectrum of bond-decorated graphenes”, The Journal of Chemical Physics 140 (2014) 234114
35. N. F. Chilton, D. Collison, E. McKinnes, R. E. P. Winpenny and A. Soncini, “An electrostatic model for the determination of magnetic anisotropy in dysprosium complexes”, Nature Communications 4, 2551 (2013).
36. N. F. Chilton, S. Langley, B. Moubaraki, A. Soncini, S. R. Batten and K. S. Murray, “Single Molecule Magnetism in a family of mononuclear β-diketonate lanthanide(III) complexes: rationalization of magnetic anisotropy in complexes of low symmetry”, Chemical Science 4, 1719 (2013).
37. W. Van den Heuvel and A. Soncini, “NMR chemical shift as analytical derivative of the Helmholtz free energy”, The Journal of Chemical Physics 138, 054113 (2013).
38. A. Soncini and W. Van den Heuvel, “Communication: Paramagnetic NMR chemical shift in a spin state subject to zero-field splitting”, The Journal of Chemical Physics 138, 021103 (2013). JCP Editors’ Choice 2013.
39. N. F. Chilton, R. P. Anderson, L. D. Turner, A. Soncini and K. S. Murray “PHI: A powerful new program for the analysis of anisotropic monomeric and exchange-coupled polynuclear d- and f-block complexes”, Journal of Computational Chemistry 34, 1164 (2013).
40. A. Soncini and P. W. Fowler, “Counter-rotating spin-polarised ring currents in odd-electron carbocycles”, Chemistry – A European Journal 19, 1740 (2013) (first published online: 6 DEC 2012).
41. W. Van den Heuvel and A. Soncini, “NMR chemical shift in an electronic state with arbitrary degeneracy”, Physical Review Letters 109, 073001 (2012).
42. P. W. Fowler and A. Soncini, “Visualising aromaticity of bowl-shaped molecules”, Physical Chemistry Chemical Physics 13, 20637 (2011).
43. L. W. Jenneskens, R. W. Havenith, A. Soncini and P. W. Fowler, “Aromaticity of strongly bent benzene rings: persistence of a diatropic ring current and its shielding cone in [5]paracyclophane”, Physical Chemistry Chemical Physics 13, 16861 (2011).
44. W. P. Oziminski, T. M. Krygowski, P. W. Fowler, and A. Soncini, “Aromatization of fulvene by complexation with lithium”, Organic Letters 12, 4880 (2010).
45. A. Soncini, T. Mallah and L. F. Chibotaru, “Molecular spintronics in mixed-valence magnetic dimers: the double exchange blockade mechanism”, The Journal of the American Chemical Society 132, 8106 (2010).
46. A. Soncini and L. F. Chibotaru, “Molecular spintronics using noncollinear magnetic molecules”, Physical Review B 81, 132403 (2010). .
47. D. E. Bean, P. W. Fowler and A. Soncini, “Double aromaticity and ring currents in open-shell systems”, Chemical Physics Letters 483, 193 (2009).
48. E. I. Tellgren, T. Helgaker, and A. Soncini “Non-perturbative magnetic phenomena in closed-shell paramagnetic molecules”, Physical Chemistry Chemical Physics 11, 5489 (2009). .
49. E. I. Tellgren, A. Soncini and T. Helgaker, “Non-perturbative ab initio calculations in strong magnetic fields using London orbitals”, The Journal of Chemical Physics 129, 154114 (2008).
50. A. Soncini, A. M. Teale, T. Helgaker, F. De Proft and D. J. Tozer, “Maps of current density using density-functional methods”, The Journal of Chemical Physics 129 , 074101 (2008).
51. A. Soncini and L. F. Chibotaru, “Toroidal magnetic states in molecular wheels: Interplay between isotropic exchange interactions and local magnetic anistoropy”, Physical Review B 77, 220406(R) (2008). Rapid communication.
52. L. F. Chibotaru, L. Ungur, and A. Soncini, “Origin of non-magnetic Kramers Doublet in the ground state of Dysprosium Triangles: Evidence for Toroidal Magnetic Moment”, Angewandte Chemie International Edition 47, 4126 (2008).
53. A. Soncini, P. W. Fowler, C. Lepetit and R. Chauvin, “Aromaticity of ring carbomers of [N]annulenes and [N]cycloalkanes, Physical Chemistry Chemical Physics 10, 957 (2008).
54. P. Lazzeretti, A. Soncini and R. Zanasi, “Response tensors for chiral discrimination in NMR spectroscopy”, Theoretical Chemistry Accounts 119, 99 (2008).
55. A. Soncini and P. W. Fowler, “Ring current aromaticity in open-shell molecules”, Chemical Physics Letters 450, 431 (2008).
56. A. Soncini, “Charge and Spin currents in open-shell molecules: a unified approach to EPR and NMR observables”, Journal of Chemical Theory and Computation 3, 2243 (2007).
57. A. Soncini and L. F. Chibotaru, “Mechanisms of spin-mixing instabilities in antiferromagnetic molecular wheels”, Physical Review Letters 99, 077204 (2007).
58. S. Clima, M. F. A. Hendrickx, L. F. Chibotaru, A. Soncini, V. Mironov and A. Ceulemans, “Effect of the metal environment on the ferromagnetic interaction in the Co-NC-W pairs of octacyanotungstate(V)-cobalt(II) three-dimensional networks”, Inorganic Chemistry 46, 2682 (2007).
59. E. Steiner, P. W. Fowler, A. Soncini and L. W. Jenneskens, “Current-density maps as probes of aromaticity: Global and Clar ring currents in totally resonant polycyclic aromatic hydrocarbons”, Faraday Discussions, 135, 309 (2007).
60. E. Steiner, A. Soncini and P. W. Fowler, “Full spectral decomposition of ring currents”, Journal of Physical chemistry A 110, 12882 (2006).
61. P. W. Fowler, A. Rogoswska, A. Soncini, M. Lillington and L. P. Olson “Currents in tangentially p-p bonded -aromatic systems”, Journal of Organic Chemistry 71, 6459 (2006).
62. A. Soncini, R. G. Viglione, R. Zanasi, P.W. Fowler and L. W. Jenneskens “Efficient mapping of ring currents in fullerenes and other curved carbon networks”, Comptes Rendus Chimie 9, 1085 (2006).
63. A. Soncini, P. Lazzeretti and R. Zanasi “Invariance of magnetic field induced current density to a continuous transformation of the origin of the coordinate system”, Chemical Physics Letters 421, 21 (2006).
64. A. Soncini and P. Lazzeretti “Critique of the multipath nuclear spin-spin coupling concept for 1J(C,C) based on models of electronic current induced by 13C nuclear magnetic dipoles in ethane, cyclopropane, and bicyclobutane”, ChemPhysChem 7, 679 (2006).
65. J. Baker, P. W. Fowler, A. Soncini and M. Lillington “Rare gas insertion compounds of perfluorobenzene: aromaticity of some unstable species” The Journal of Chemical Physics 123, 174309 (2005).
66. E. Steiner, A. Soncini and P. W. Fowler “Ring currents in the porphyrines: π-shielding, delocalisation pathways and the central cation” Organic & Biomolecular Chemistry 3, 4053-4059 (2005).
67. F. Faglioni, A. Ligabue, S. Pelloni, A. Soncini, R. G. Viglione, M. B.Ferraro, R. Zanasi, and P. Lazzeretti “Why Downfield Proton Chemical Shifts Are Not Reliable Aromaticity Indicators” Organic Letters 7, 3457 (2005).
68. A. Soncini and P. Lazzeretti, “Interpretation of the vicinal spin-spin coupling in ethane via the current density induced by nuclear magnetic dipoles”, Chemical Physics Letters 409, 177 (2005).
69. A. Soncini, P.W. Fowler and F. Zerbetto, “Electric-field perturbations of ring currents in -systems”, Chemical Physics Letters 405, 136 (2005).
70. A. Soncini, C. Domene, J. J. Engelberts, P. W. Fowler, A. Rassat, J. H. van Lenthe, R. W. A. Havenith and L. W. Jenneskens, “A unified orbital model of delocalised and localised currents in monocycles, from annulenes to azabora-heterocycles”, Chemistry-A European Journal 11, 1257 (2005).
71. A. Soncini, P.W. Fowler, P. Lazzeretti and R. Zanasi, “Ring-current signatures in shielding-density maps”, Chemical Physics Letters 401, 164-169 (2005).
72. A. Soncini and P. W. Fowler, “Non-linear ring currents: effect of strong magnetic fields on -electron circulation”, Chemical Physics Letters 400, 213-220 (2004).
73. A. Soncini, P.W. Fowler and L. W. Jenneskens, “A parity rule for ring currents in -clamped monocycles”, Physical Chemistry Chemical Physics 6, 4921-4923 (2004).
74. F. Faglioni, A. Ligabue, S. Pelloni, A. Soncini and P. Lazzeretti, “Molecular response to a time-independent non-uniform magnetic-field”, Chemical Physics 304, 289-299 (2004).
75. P. W. Fowler, C. W. Rees and A. Soncini, “Aromaticity of Organic Heterocyclothiazenes and Analogues”, The Journal of the American Chemical Society 126, 11202-11212 (2004).
76. A. Soncini and P. W. Fowler, “Ipsocentric and Allocentric methods of mapping induced current density”, Chemical Physics Letters 396, 174-181 (2004).
77. R. W. A. Havenith, L. W. Jenneskens, P. W. Fowler and A. Soncini, “Which -clamped monocycles exhibit ring current?”, Organic & Biomolecular Chemistry 2, 1281 (2004).
78. G. A. Burley, A. G. Avent, I. V. Gol'dt, P. B. Hitchcock, H. Al-Matar, D. Paolucci, F. Paolucci, P. W. Fowler, A. Soncini, J. M. Street and R. Taylor, “Design and synthesis of multi-component 18 annulenic fluorofullerene ensembles suitable for donor-acceptor applications”, Organic & Biomolecular Chemistry 2, 319 (2004).
79. A. Soncini, P. W. Fowler and L. W. Jenneskens, “Ring currents in large [4n+2] annulenes”, Physical Chemistry Chemical Physics 6, 277 (2004).
80. A. Soncini, P. Lazzeretti, V. Bakken and T. Helgaker, “Calculation of the electric dipole hypershieldings at the nuclei in the Hellmann-Feynman approximation”, The Journal of Chemical Physics 120, 3142 (2004).
81. P. W. Fowler and A. Soncini, “Aromaticity, polarisability and ring current”, Chemical Physics Letters 383, 507 (2003).
82. G. A. Burley, P. W. Fowler, A. Soncini, J. P. B. Sandall and R. Taylor, “A diatropic ring current in a fluorofullerene trannulene”, Chemical Communications 3042 (2003).
83. A. Soncini, F. Faglioni and P. Lazzeretti, “Parity-violating contributions to nuclear magnetic shielding”, Physical Review A 68, 033402 (2003).
84. A. Soncini, E. Steiner, P. W. Fowler, R. W. A. Havenith and L. W. Jenneskens, “Perimeter effects on ring currents in polycylic aromatic hydrocarbons: Circumcoronene and two hexabenzocoronenes”, Chemistry-A European Journal 9, 2974 (2003).
85. S. Pelloni, F. Faglioni, A. Soncini, A. Ligabue and P. Lazzeretti, “Magnetic response of dithiin molecules: is there anti-aromaticity in nature?”, Chemical Physics Letters 375, 583 (2003).
86. A. Soncini and P. Lazzeretti, “Nuclear spin-spin coupling density functions and the Fermi hole”, Journal of Chemical Physics 119, 1343 (2003).
87. A. Soncini and P. Lazzeretti, “Nuclear spin-spin coupling density in molecules'', Journal of Chemical Physics 118, 7165 (2003).
88. R. Soriano Jartin, A. Ligabue, A. Soncini and P. Lazzeretti, “Ring Currents and Magnetic Properties of S-Indacene, an Archetypal Paratropic, Non Antiaromatic Molecule”, Journal of Physical Chemistry A, 106, 11806 (2002).
89. A. Soncini, R. W. Havenith, P. W. Fowler, L. W. Jenneskens and E. Steiner, “Control of the Diatropic -Ring Current in Strained Benzenes: Effects of Annelation with Cyclopropa, Cyclobuta and Cyclobutadieno Clamping Groups”, Journal of Organic Chemistry 67, 4753-4758 (2002).
90. P. W. Fowler, R. W. A. Havenith, L. W. Jenneskens, A. Soncini and E. Steiner, “Paratropic delocalized ring currents in flattened cyclooctatetraene systems with bond alternation”, Angewandte Chemie-International Edition 41, 1558-1560 (2002).
91. M. Gnani, P. Lazzeretti, A. Ligabue, U. Pincelli and A. Soncini, “An efficient Coupled Hartree-Fock Computational Scheme for Parity Violating Energy differences in enantiomeric Molecules”, Computer Physics Communications 144, 130-140 (2002).
92. A. Ligabue, A. Soncini and P. Lazzeretti, “The Leap-Frog effect of ring currents in Benzene”, The Journal of the American Chemical Society 124, 2008-2014 (2002).
93. P.W. Fowler, R.W.A. Havenith, L.W. Jenneskens, A. Soncini and E. Steiner, ”Survival and extinction of delocalised ring currents in clamped benzenes”, Chemical Communications 2386-2387 (2001).
94. A. Soncini, P.W. Fowler, I.Cernusak and E. Steiner, “C6h-Hexa-azahexaborine, [(CH)BN]6: structure and magnetic properties of a proposed 18-electron aromatic ring” Physical Chemistry Chemical Physics, 3, 3920-3923 (2001).
95. P. W. Fowler, P. Hansen, G. Caporossi and A. Soncini, “Polyenes with maximum HOMO-LUMO gap”, Chemical Physics Letters 342, 105-112 (2001).
96. A. Soncini, A. Ligabue, P. Lazzeretti and R. Zanasi, “Parity-Violating Effects in Asymmetric Chemical Reactions: a Theoretical Study on the CHFClBr Molecule”, Physical Review E 62, 8395-8399 (2000).
97. R. Zanasi, P. Lazzeretti, A. Ligabue and A. Soncini, “Theoretical results which strengthen the hypothesis of electroweak bioenantioselection”, Physical Review E 59, 3382 (1999).
Book chapters:
98. K. Hymas, A. Soncini, “Quantum Toroidicity in Single-Molecule Toroics: A Unifying Model Based on Heisenberg Spin Rings”, Chapter 6 (pp. 189-232) in Single Molecule Toroics: Synthetic Strategies, Theory and Applications, K. Murray Ed., Springer International Publishing, 2022
99. K. S. Murray, S. K. Langley, K. R. Vignesh, K. Hymas, A. Soncini, “Mixed d-f block Single-Molecule Toroics”, Chapter 2 (pp. 15-66) in Single Molecule Toroics: Synthetic Strategies, Theory and Applications, K. Murray Ed., Springer International Publishing, 2022
100. K. S. Murray, K. R. Vignesh, K. Hymas, A. Soncini, “Introduction to Single-Molecule Toroics”, Chapter 1 (pp. 1-13) in Single Molecule Toroics: Synthetic Strategies, Theory and Applications, K. Murray Ed., Springer International Publishing, 2022
101. A. Soncini, P. W. Fowler and L. W. Jenneskens “Angular momentum and spectral decomposition of ring currents: aromaticity and the annulene model”, Structure & Bonding 115, 57-79 (2005).
102. R. Zanasi, P. Lazzeretti, A. Ligabue and A. Soncini, “On the stabilization of natural L--amino acids and D-sugars via parity-violating effects'', Advances in Biochirality 29, 377-386 (1999) Elsevier.
Conference Proceedings:
103. K. K. Lee, T. Shiell, J. C. McCallum, R. Szymanski, A. Soncini, C. Boskovic and D. N. Jamieson, “Fewlayered Graphene growth by carbon implantation into polycrystalline Nickel substrate”, 2012 Conference on optoelectronic and microelectronic materials and devices, pages 173-174 (2012).
104. P. W. Fowler and A. Soncini, “Frontier orbital ring current and the annulene analogy”, Polycyclic Aromatic Compounds 24, 353-366 (2004).
Pubblicazioni (107)
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fs2 – Socio/a effettivo o corrispondente
- Società Chimica Italiana (Italia)
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2023
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Associate Editor di rivista o collana editoriale - FRONTIERS IN CHEMISTRY - ISSN: 2296-2646 - Lausanne : Frontiers Media S.A., 2013- (2021 - )
2021
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2016
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Associate Professor & Reader - Level D (come Level C/Senior Lecturer, equivalente a Professore Associate confermato) presso: University of Melbourne - Ricercatore/Ricercatrice all’estero
(01/12/2018 - 31/10/2022)20181201
Future Fellow dell'Australian Research Council (ARC) - prestigiosa fellowship di ricerca (~1 millione di dollari australiani) assegnata dopo procedura di selezione competitiva per un periodo di 4 anni presso: University of Melbourne - Ricercatore/Ricercatrice all’estero
(01/10/2018 - 31/10/2022)20181001
Senior Lecturer (tenured - equivalente a Professore Associato Confermato) presso: University of Melbourne - Ricercatore/Ricercatrice all’estero
(01/09/2015 - 31/12/2018)20150901
Lecturer presso la School of Chemistry: ricerca e insegnamento, a tutti gli effetti Faculty Member tenure-track presso: University of Melbourne - Ricercatore/Ricercatrice all’estero
(01/03/2011 - 31/08/2015)20110301
Research Fellowship presso il centro di Eccellenza Fiammingo "Instituto for Nanoscale Physics and Chemistry" presso: Katholieke Universiteit Leuven - Ricercatore/Ricercatrice all’estero
(31/03/2009 - 30/03/2011)20090331
Forsker (principal researcher) presso il centro di eccellenza norvegese: Centre for Theoretical and Computational Chemistry, con sede all'Università di Oslo e all'Università di Tromsoe presso: Universitetet i Oslo - Ricercatore/Ricercatrice a t.d. presso Ente di ric.
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