Molecular enhanced sampling with autoencoders: On‐the‐fly collective variable discovery and accelerated free energy landscape exploration-Reference-Cited by-同舟云学术

Molecular enhanced sampling with autoencoders: On‐the‐fly collective variable discovery and accelerated free energy landscape exploration

Author:

Chen Wei¹^ORCID,Ferguson Andrew L.¹²³^ORCID

Affiliation:

1. Department of Physics University of Illinois at Urbana‐Champaign, 1110 West Green Street Urbana Illinois 61801

2. Department of Materials Science and Engineering University of Illinois at Urbana‐Champaign, 1304 W Green Street Urbana Illinois 61801

3. Department of Chemical and Biomolecular Engineering University of Illinois at Urbana‐Champaign, 600 South Mathews Avenue Urbana Illinois 61801

Funder

National Science Foundation

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

Reference179 articles.

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