71 citations · 177 across the 12 of their papers we have counts for
3 papers · 1 filter
Langevin-Informed Transfer Learning: Replacing Target Samples by Black-Box Feedback
Vladimir R. Kostic, Karim Lounici, Hélène Halconruy +3
Many scientific and machine learning systems, from molecular dynamics to diffusion models and beyond, are governed by stochastic dynamics with low-dimensional structure, evolving o…
Let's Stalk About Membranes: Committor-Based Enhanced Sampling of Stalk Formation
Giorgia Rossi, Enrico Trizio, Davide Bochicchio +2
Membrane fusion is essential for cellular communication and function, and understanding how two lipid bilayers merge is key to informing therapeutic strategies. Functionalized nano…
Ceci n'est pas un committor, yet it samples like one: efficient sampling via approximated committor functions
Enrico Trizio, Giorgia Rossi, Michele Parrinello
Atomistic simulations are widely used to investigate reactive processes but are often limited by the rare event problem due to kinetic bottlenecks. We recently introduced an enhanc…