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Accelerated Simulations of Molecular Systems through Learning of their
  Effective Dynamics

Accelerated Simulations of Molecular Systems through Learning of their Effective Dynamics

17 February 2021
Pantelis R. Vlachas
J. Zavadlav
M. Praprotnik
P. Koumoutsakos
    AI4CE
ArXivPDFHTML

Papers citing "Accelerated Simulations of Molecular Systems through Learning of their Effective Dynamics"

2 / 2 papers shown
Title
Learning neural network potentials from experimental data via
  Differentiable Trajectory Reweighting
Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting
Stephan Thaler
J. Zavadlav
20
66
0
02 Jun 2021
Time-lagged autoencoders: Deep learning of slow collective variables for
  molecular kinetics
Time-lagged autoencoders: Deep learning of slow collective variables for molecular kinetics
C. Wehmeyer
Frank Noé
AI4CE
BDL
109
355
0
30 Oct 2017
1