Project ID: plumID:22.001
Name: Improving the Efficiency of Variationally Enhanced Sampling with Wavelet-Based Bias Potentials
Keywords: enhanced sampling, variationally enhanced sampling, ves, metadynamics, bias representation, wavelets, adam
PLUMED version: 2.8
Contributor: Benjamin Pampel
Submitted on: 20 Jan 2022
Publication: B. Pampel, O. Valsson, Improving the Efficiency of Variationally Enhanced Sampling with Wavelet-Based Bias Potentials. Journal of Chemical Theory and Computation. 18, 4127–4141 (2022)
PLUMED input files
Last tested: 27 Sep 2022, 18:19:57
Project description and instructions
See README.md for instructions.
[v1] 20 Jan 2022: original submission
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