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Highly Accurate Molecular Properties using variational Quantum Electrodynamics

This project has received funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation programme (grant agreement No 101019907)

* June 1 2022 The 25th DIRAC meeting was held in Odense, Denmark, May 30 - June 2 2022

Standing, from left: Xiang Yuan (Lille), Mauricio Rodríguez-Mayorga (Amsterdam), Martin van Horn (Toulouse), Joel Creutzberg (Lund), André Gomes (Lille), Jan Brandejs (Toulouse), Johann Pototschnig (Toulouse), Hans Jørgen Aa. Jensen (Odense), Maen Salman (Toulouse). In front: Luuk Visscher (Amsterdam), Radovan (universe), Trond Saue (Toulouse).

* April 11 2022 New manuscript submission

Stefan Knecht, Michal Repisky, Hans Jørgen Aagaard Jensen, Trond Saue, Exact two-component Hamiltonians for relativistic quantum chemistry: Two-electron picture-change corrections made simple arXiv

* April 1 2022 New postdoc

Jan Brandejs
Postdoc April 2022 - April 2024

Jan Brandejs, born 1992 in the Czech Republic, obtained his PhD (entitled Tensor Network-based Computational Methods for Strongly Correlated Molecular Quantum Mechanics) in theoretical physics at the Charles University in 2022, under the supervision of Libor Veis. His main task in the HAMP-vQED project will be to work on the creation of an advanced programming environment for relativistic coupled-cluster developments.

* March 28 2022: New Master student

Ryan Benazzouk
Master 2 internship (physics) March - September 2022

Ryan Benazzouk, born 1999 in Paris, is currently pursuing a double diploma between ISAE-Supaero, studying engineering, and Université Paul Sabatier, studying theoretical physics. His internship, associated with HAMP-vQED project, will be to study vacuum polarization within a finite basis approximation.

* March 4 2022: New Master student

Gabriele Fabbro
Master 2 internship (chemistry) March - July 2022

Gabriele Fabbro, born 1998 in Pordenone, Italy, obtained a bachelor degree in chemistry at the University of Trieste in 2020 and is currently pursuing a Master of theoretical chemistry at the same institution. His internship associated with HAMP-vQED project, will be to work analysis and accurate calculations of the electric field gradient at nuclear position, used in combination with experiment to extract nuclear electric quadrupole moments, but also providing information about chemical bonding.

* Feb 14 2022: New postdoc

Maen Salman
postdoc 14/02/2022 – 13/02/2024
ORCID: 0000-0002-8214-9524

Maen Salman, born 1994 in Lebanon, obtained a bachelor degree in Physics at the Lebanese University in 2015. He next obtained a Master degree at the Aix-Marseille university in 2018 and then his PhD (entitled Quantum Electrodynamic Corrections in Quantum Chemistry) at the Toulouse III - Paul Sabatier University in 2022. His main task in the HAMP-vQED project will be to work on a variational formulation of QED, including regularisation and renormalization in coordinate space.

* Feb 1 2022: New postdoc

Johann Pototschnig
postdoc 01/02/2022 – 31/01/2024
ORCID: 0000-0002-9982-0556

Johann Pototschnig, born 1987 in Austria, obtained his PhD (entitled A theoretical study of metal containing diatomic molecules: Quantum chemical studies on selected systems featuring electric and magnetic dipole moments) in technical physics at the Graz University of Technology in 2016, under the supervision of Wolfgang E. Ernst and Andreas W. Hauser. He then did postdocs at the Max Planck Institut für Kohlenforschung in Mülheim (2018) and at the Vrije Universiteit Amsterdam (2019-2020). His main task in the HAMP-vQED project will be to work on the two-electron interaction, going beyond the instantaneous Coulomb two-electron interaction.

* Jan 7 2022: A 3-year PhD-position in theoretical chemistry/physics: Relativistic coupled-cluster response theory for closed-shell molecules. More information is found here

* Dec 11 2021: Trond Saue gave a talk “Does chemistry need more physics ?” (handout) as plenary lecturer at the 17th Theoretical Chemistry Symposium (TCS 2021) held online under the joint auspices of IISER Kolkata, IACS Kolkata, University of Kalyani and S.N Bose National Centre For Basic Sciences Kolkata.

* Nov 10 2021: Trond Saue gave a talk “Does chemistry need more physics ?” (handout) at a Mini-symposium on relativistic electronic structure, held in the PhLAM (Physique des Lasers, Atomes et Molécules) laboratory at the university of Lille, France.

* Oct 21 2021: A 2-year Postdoctoral Research Fellow in Theoretical Chemistry/Computational Science is available: Relativistic two-electron interaction. Position filled.

* Oct 1 2021: The HAMP-vQED project, funded by an ERC Avanced Grant, has officially started !

start.txt · Last modified: 2022/06/01 14:08 by tsaue