111 citations · 393 across the 14 of their papers we have counts for
3 papers · 1 filter
Enhanced Sampling of Configuration and Path Space in a Generalized Ensemble by Shooting Point Exchange
Sebastian Falkner, Alessandro Coretti, Christoph Dellago
The computer simulation of many molecular processes is complicated by long time scales caused by rare transitions between long-lived states. Here, we propose a new approach to simu…
Learning Mappings between Equilibrium States of Liquid Systems Using Normalizing Flows
Alessandro Coretti, Sebastian Falkner, Phillip Geissler +1
Generative models are a promising tool to address the sampling problem in multi-body and condensed-matter systems in the framework of statistical mechanics. In this work, we show t…
Conditioning Normalizing Flows for Rare Event Sampling
Sebastian Falkner, Alessandro Coretti, Salvatore Romano +2
Understanding the dynamics of complex molecular processes is often linked to the study of infrequent transitions between long-lived stable states. The standard approach to the samp…