Published January 20, 2022 | Version v1.0
Dataset Open

Improving the Efficiency of Variationally Enhanced Sampling with Wavelet-Based Bias Potentials

  • 1. Max Planck Institute for Polymer Research, Ackermannweg 10, D-55128 Mainz, Germany

Description

Archive with data supporting the paper "Improving the Efficiency of Variationally Enhanced Sampling with Wavelet-Based Bias Potentials" and the related PhD thesis by B. Pampel

Files

Files (45.1 GB)

Name Size Download all
md5:34d069dbd7db68c2dfa63cfe718f8b08
45.1 GB Download

Additional details

Related works

Is supplement to
Preprint: arXiv:2202.13459 (arXiv)
Journal article: 10.1021/acs.jctc.2c00197 (DOI)
Thesis: 10.25358/openscience-7164 (DOI)