Our website is currently being rolled out. Please don’t hesitate come back later for updates. Thank you for your interest.
Our research team is part of the ThéoSim group of the Institut de Chimie Physique of the Université Paris Saclay and the CNRS. Please do not hesitate to contact us if you would like to spend some time in our team (internship, research visit, thesis, post-doctoral internship or other).
Open Positions
PhD positions : Two PhD grants are opened in the group for a start in falls 2024. Both are related to the simulation of ionizing radiation damages on molecules. One involves methodological developments in the DFT program deMon2k, the other one is more on applications. Don’t hesitate to contact us for more details. Details of the positions will be published in 2024.
Program release
Electron dynamics
The deMon2k module for conducting electronic dynamics simulations is now available ! The program can be downloaded from Zenodo (10.5281/zenodo.8301468) for use on CPU or CPU/GPU hybrid machines.
Fundings
We are grateful to funding agencies for continuous supports, notably the French National Agency for research (recent projects RUBI, BIRD, SuperET, ELECTROPHYLL), CNRS (Emergence@INC program), GENCI and Alliance Canada for generous computational resources.
