Biomolecular dynamics with machine-learned quantum-mechanical force fields trained on diverse chemical fragments
Google (Switzerland) · Technische Universität Berlin · +4 more institutions
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Abstract
The GEMS method enables molecular dynamics simulations of large heterogeneous systems at ab initio quality.
Citation impact
109
total citations
- FWCI
- 11.83
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- 100%
- References
- 158
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Authors
12Topics & keywords
Topics
Keywords
- Dynamics (music)
- Molecular dynamics
- Quantum
- Ab initio
- Quantum chemical
- Computer science
- Quality (philosophy)
- Force field (fiction)
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