Differentiable Simulations for Enhanced Sampling of Rare Events

9 January 2023

Papers citing "Differentiable Simulations for Enhanced Sampling of Rare Events"

3 / 3 papers shown

Title
Learning Collective Variables with Synthetic Data Augmentation through Physics-Inspired Geodesic Interpolation Soojung Yang Juno Nam Johannes C. B. Dietschreit Rafael Gómez-Bombarelli DiffM 15 7 0 02 Feb 2024
Differentiable Molecular Simulations for Control and Learning Wujie Wang Simon Axelrod Rafael Gómez-Bombarelli AI4CE 93 49 0 27 Feb 2020
Time-lagged autoencoders: Deep learning of slow collective variables for molecular kinetics C. Wehmeyer Frank Noé AI4CE BDL 109 355 0 30 Oct 2017