Papers citing 'Multitask machine learning of collective variables for enhanced sampling of rare events'

Title
Machine Learning of Slow Collective Variables and Enhanced Sampling via Spatial Techniques Tuğçe Gökdemir Jakub Rydzewski 144 4 0 31 Dec 2024
Generalized Flow Matching for Transition Dynamics Modeling Haibo Wang Yuxuan Qiu Yanze Wang Rob Brekelmans Yuanqi Du 105 2 0 19 Oct 2024
Learning Collective Variables with Synthetic Data Augmentation through Physics-Inspired Geodesic Interpolation Soojung Yang Juno Nam Johannes C. B. Dietschreit Rafael Gómez-Bombarelli DiffM 80 10 0 02 Feb 2024
Enhanced Sampling with Machine Learning: A Review S. Mehdi Zachary Smith Lukas Herron Ziyue Zou P. Tiwary AI4CE 58 8 0 15 Jun 2023
Differentiable Simulations for Enhanced Sampling of Rare Events Martin Sípka Johannes C. B. Dietschreit Lukáš Grajciar Rafael Gómez-Bombarelli 146 11 0 09 Jan 2023
Stochastic Optimal Control for Collective Variable Free Sampling of Molecular Transition Paths Lars Holdijk Yuanqi Du F. Hooft P. Jaini B. Ensing Max Welling 105 35 0 27 Jun 2022