Season 2 – Session 4: Simulating quantum materials

7 July 2022, 15:00-19:00 CEST

Antoine Georges - Collège de France, Paris and Flatiron Institute, New York
Electronic Structure of Quantum Materials with Strong Correlations: A Dynamical Mean-Field Theory Perspective

Sophie Beck - Flatiron Institute, New York
Ab initio description of strongly correlated materials: combining density functional theory and dynamical mean-field theory

Jannis Ehrlich -  Fraunhofer IWM
Dynamical Mean Field Theory on a Quantum Computer

Petra Shih -  Columbia University
Anharmonic lattice dynamics from vibrational dynamical mean-field theory

Season 2 – Session 8: Electronic energies beyond Density Functional Theory

9 June 2022, 15:00-19:00 CEST

Lucia Reining - École Polytechnique, Palaiseau
Strategies to deal with the many-body problem in materials: a unified view on functionals

Jean Baptiste Fankam Fankam -  University of Yaounde I
Theoretical investigation of the molecular structure, vibrational spectra, thermodynamics and non linear optical properties of 4,5-dibromo-2,7-dinitro-Fluorescein

Season 2 – Session 7: Simulating non-equilibrium phenomena and rare events

28 April 2022, 15:00-19:00 CEST

Tanja Schilling - University of Freiburg
How to build a theory for a coarse-grained system out of equilibrium

Régis Santet -  Ecole des Ponts
Unbiased sampling of HMC schemes for non separable Hamiltonian systems

Jeanine Shea - Johannes Gutenberg University Mainz
Passive particle in an active bath: can we tell it is out of equilibrium?

Season 2 – Session 6 Simulating biological systems

31 March 2022, 15:00-19:00 CEST

Benoit Roux - The University of Chicago
Using Computer Simulations to Advance our Understanding of Biological Systems at the Atomic Level

Beatriz Piniello Castillo - University of Barcelona
Asparagine tautomerization in glycosyltransferase catalysis. The molecular mechanism of protein O-fucosyltransferase 1

Saumyak Mukherjee - Ruhr University Bochum
Entropy of water in protein condensates

Season 2 – Session 5: Simulating glasses

24 February 2022, 15:00-19:00 CET

Ludovic Berthier - University of Montpellier
Perspectives for the next generation of glass transition studies

Grace Sommers - Princeton University
From hard spheres to hard-core spins

Chengjie Luo - Eindhoven University of Technology
Many Body Correlations Are Non negligible in Simple Glassformers

Season 2 – Session 3: Simulating colloidal systems

16 December 2021, 15:00-19:00 CET

Emanuela Zaccarelli - La Sapienza University, Rome
Anomalous slow dynamics in soft matter

Asaf Szulc - Ben-Gurion University
Cooperative effects driving the multi-periodic response of cyclically sheared amorphous solids

Fergus Moore - University of Bristol
Crystallisation and polymorph selection in active Brownian particles

Luca Tonti - University of Manchester
Diffusion of globular macromolecules in liquid crystals of colloidal cuboids

Season 2 – Session 2: Machine learning in simulations

25 November 2021, 15:00-19:00 CET

Gabor Csanyi - Cambridge University
First principles force fields: status and challenges
Featuring Elena Gelzinyte, David Kovacs, James Darby, and Cas van der Oord

Thorben Fröhlking - SISSA
Using machine learning to improve RNA force fields

Silvia Bonfanti - Università degli Studi di Milano
Machine Learning of Metamaterials

Season 2 – Session 1: Multiscale simulations of complex materials

27 October 2021, 15:00-19:00 CEST

Friederike Schmid - Johannes Gutenberg University, Mainz
Polymer simulations across multiple scales

Nicodemo di Pasquale - University of Manchester
Mori-Zwanzig projection technique in coarse-grained modelling

Javier Diaz - EPFL
Co-assembly of block copolymers and anisotropic nanoparticles

Constantinos J. Revelas - National Technical University of Athens
Multiscale Modeling of Polymer-Nanoparticle Systems