Virtual Talks program

Online, 24th September 2021 – 01st October 2021

Use of molecules to search for new physics and study nuclear properties

Speaker: Dr. Leonid V. Skripnikov,

Petersburg Nuclear Physics Institute, Russia & Department of Physics, Saint-Petersburg State University, Russia.

Short Bio: Dr. Leonid V. Skripnikov is a senior researcher in the laboratory of quantum chemistry (headed by A.V. Titov) at the Petersburg Nuclear Physics Institute and an associate professor in the division of quantum mechanics (headed by V.M Shabaev) at the Saint-Petersburg State University. He received his PhD in the group of A.V. Titov at Petersburg Nuclear Physics Institute in 2012. In 2019 he was included in the “Periodic Table of Younger Chemists” by IUPAC. Recently he was awarded a Kurchatov prize, Leningrad region governor’s prize, and the prize of the academic council of St. Petersburg State University.

Beyond the apparent simplicity of gold dihydride: probing the electronic structure of AuH2 with relativistic approaches

Speaker: Dr. Diego Sorbelli,

University of Perugia, Italy.

Short Bio: Diego Sorbelli is a second-year PhD student in Theoretical Chemistry and Computational Modelling at the University of Perugia, Italy. His research focuses on the theoretical study of the bonding, reactivity and spectroscopic properties of gold’s molecular compounds for their application as catalysts and optical devices.

Was Online, 27th August 2021 – 03rd September 2021

Band structures of 2D materials from efficient all-electron four-component Kohn-Sham theory using Gaussian-type orbitals

Speaker: Dr. Marius Kadek,

Hylleraas Centre for Quantum Molecular Sciences, UiT The Arctic University of Norway.
Department of Physics, Northeastern University, Boston, USA.

Short Bio: Marius Kadek received his PhD in the group of Kenneth Ruud at Hylleraas Centre for Quantum Molecular Sciences, Norway, where he developed relativistic first-principles methods for real-time electron dynamics and electronic band structures of spin-orbit-coupled solids. He was awarded a mobility fellowship from the Research Council of Norway to collaborate with Arun Bansil’s group on studying topological properties of 2D materials with strong spin-orbit coupling. Currently, he is an affiliated researcher at Northeastern University, Boston.

Was Online, 25th June 2021 – 02nd July 2021

The one-particle Dirac equation – A historical journey with many pitfalls

Speaker: Prof. Peter Schwerdtfeger,
Director of the Centre for Theoretical Chemistry and Physics (CTCP), Massey University, Auckland, New Zealand

Short Bio:

Atomic Mean-field Spin-Orbit Approaches for the Exact Two-Component Theory: Two Paradigms

Speaker: Prof. Lan Cheng,
Johns Hopkins University, Baltimore, USA

Short Bio: Lan is an assistant professor in chemistry at the Johns Hopkins University. His group works on relativistic electronic-structure theory and molecular spectroscopy. Lan received his Ph.D. from Peking University and worked as a postdoctoral fellow at Johannes-Gutenberg Universität Mainz and the University of Texas at Austin.

Was Online, 28th May 2021 – 04th June 2021

Variational relativistic computations for atoms and molecules using an explicitly correlated Gaussian basis set

Speaker: Dr. Edit Matyus,
Eotvos Lorand University
Budapest, Hungary

Short Bio: Edit Matyus is working in the field of molecular spectroscopy and molecular physics []. She has graduated from ELTE in Budapest and carried out research at ETH Zürich and in Cambridge. She is currently assistant professor and an ERC reserach group leader at ELTE. She is recipient of the 2021 Dirac medal of WATOC.

Ab-initio bulk properties of oganesson

Speaker: Dr. Odile Smits,
Massey University, New Zealand

Short Bio: Odile Smits obtained her PhD in Peter Schwerdtfeger’s group (Massey University, New Zealand) on the melting temperature of the noble gases and is currently a Post-Doctoral researcher in the same group, studying the chemistry and physics of the heaviest elements in the remotest corner of the periodic table. From first principles she studies the bulk properties of elements like oganesson, copernicium and flerovium. From a relativistic description of the electron shellsshe studies the end of the periodic table.