Generative methods for sampling transition paths in molecular dynamics

5 May 2022

Papers citing "Generative methods for sampling transition paths in molecular dynamics"

6 / 6 papers shown

Title
Doob's Lagrangian: A Sample-Efficient Variational Approach to Transition Path Sampling Yuanqi Du Michael Plainer Rob Brekelmans Chenru Duan Frank Noé Carla P. Gomes Alán Aspuru-Guzik Kirill Neklyudov 39 9 0 10 Oct 2024
Computing Transition Pathways for the Study of Rare Events Using Deep Reinforcement Learning Bo Lin Yangzheng Zhong Weiqing Ren 16 0 0 08 Apr 2024
Diffusion Methods for Generating Transition Paths Luke Triplett Jianfeng Lu 22 5 0 19 Sep 2023
Probing reaction channels via reinforcement learning Senwei Liang Aditya Singh Yuanran Zhu David T. Limmer Chao Yang 23 6 0 27 May 2023
Combining Reinforcement Learning and Tensor Networks, with an Application to Dynamical Large Deviations E. Gillman Dominic C. Rose J. P. Garrahan AI4CE 27 4 0 28 Sep 2022
A Note on Learning Rare Events in Molecular Dynamics using LSTM and Transformer Wenqi Zeng Siqin Cao Xuhui Huang Yuan Yao 24 9 0 14 Jul 2021