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...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Springer Science and Business Media LLC
2020
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| Online Access: | https://hdl.handle.net/1721.1/127224 |