Group meetings to come (at 4:00 pm in the LJLL seminar room)
October 15, 2021 Thomas Plé : A massively parallel platform for the explicit inclusion of nuclear quantum effects in TinkerHP
November 05, 2021 Pier Poier
November 26, 2021 Martin Chak : Optimal friction for underdamped Langevin sampling
Lise Maurin : The Orthogonal Space Random Walk sampling method in the case of alchemical transitions
Past Group meetings
July 10, 2020, 3:15 pm Oleg BALABANOV – TBA.
July 3, 2020, 3:30 pm Pierre MONMARCHE, Velocity jumps: an alternative to multi-time step integrators.
June 26, 2020, 3:30 pm Michael F. HERBST, Insight-driven design of novel SCF preconditioning strategies for mixed systems: A DFTK case-study.