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: | , |
|---|---|
| Other Authors: | |
| Format: | Article |
| Language: | English |
| Published: |
Springer Science and Business Media LLC,
2020-09-10T12:36:58Z.
|
| Subjects: | |
| Online Access: | Get fulltext |