Tristan Bereau
@tbereau.bsky.social
Interested in biomolecular simulations and machine learning of soft matter and biomolecules. Prof at Heidelberg University
PhD position in Heidelberg: generating amorphous molecular thin films with diffusion models rather than waiting for MD to equilibrate them — free energies from the same model. With U. Köthe. 3 years, funded. Physics degree required. tristanbereau.com/positions/ge...
Generative machine learning for molecular thin films – Tristan Bereau
tristanbereau.com
Solvation free energies using NeuralTI!
hello bluesky! we have a new preprint on solvation free energies: tl;dr: We define an interpolating density by its sampling process, and learn the corresponding equilibrium potential with score matching. arxiv.org/abs/2410.15815 with @francois.fleuret.org and @tbereau.bsky.social (1/n)
