Coarse-graining auto-encoders for molecular dynamics
Molecular dynamics simulations provide theoretical insight into the microscopic behavior of condensed-phase materials and, as a predictive tool, enable computational design of new compounds. However, because of the large spatial and temporal scales of thermodynamic and kinetic phenomena in materials...
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Format: | Article |
Language: | English |
Published: |
Springer Science and Business Media LLC,
2020-09-10T12:36:58Z.
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Online Access: | Get fulltext |