Spectral Map for Slow Collective Variables, Markovian Dynamics, and
Transition State Ensembles

Spectral Map for Slow Collective Variables, Markovian Dynamics, and Transition State Ensembles

10 September 2024

Jakub Rydzewski

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Papers citing "Spectral Map for Slow Collective Variables, Markovian Dynamics, and Transition State Ensembles"

7 / 7 papers shown

Title
Reweighted Manifold Learning of Collective Variables from Enhanced Sampling Simulations J. Rydzewski Ming Chen Tushar K. Ghosh O. Valsson 35 16 0 29 Jul 2022
Characterizing metastable states with the help of machine learning P. Novelli L. Bonati Massimiliano Pontil Michele Parrinello 41 23 0 15 Apr 2022
PyTorch: An Imperative Style, High-Performance Deep Learning Library Adam Paszke Sam Gross Francisco Massa Adam Lerer James Bradbury ... Sasank Chilamkurthy Benoit Steiner Lu Fang Junjie Bai Soumith Chintala ODL 520 42,559 0 03 Dec 2019
Computing Committor Functions for the Study of Rare Events Using Deep Learning Qianxiao Li Bo Lin W. Ren 56 68 0 14 Jun 2019
Time-lagged autoencoders: Deep learning of slow collective variables for molecular kinetics C. Wehmeyer Frank Noé AI4CE BDL 155 361 0 30 Oct 2017
Unfolding Hidden Barriers by Active Enhanced Sampling Jing Zhang Ming Chen 44 36 0 21 May 2017
Variational Koopman models: slow collective variables and molecular kinetics from short off-equilibrium simulations Hao Wu Feliks Nuske Fabian Paul Stefan Klus P. Koltai Frank Noé 129 128 0 20 Oct 2016

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