Adversarial reverse mapping of condensed-phase molecular structures: Chemical transferability
Switching between different levels of resolution is essential for multiscale modeling, but restoring details at higher resolution remains challenging. In our previous study, we have introduced deepBackmap, a deep neural-network-based approach to reverse-map equilibrated molecular structures for cond...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2021-03-01
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| Series: | APL Materials |
| Online Access: | http://dx.doi.org/10.1063/5.0039102 |