A carregar...
Accurate and efficient molecular dynamics based on machine learning and non von Neumann architecture
Abstract Force field-based classical molecular dynamics (CMD) is efficient but its potential energy surface (PES) prediction error can be very large. Density functional theory (DFT)-based ab-initio molecular dynamics (AIMD) is accurate but computational cost limits its applications to small systems....
Na minha lista:
| Main Authors: | , , , , , , |
|---|---|
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Nature Portfolio
2022-05-01
|
| Colecção: | npj Computational Materials |
| Acesso em linha: | https://doi.org/10.1038/s41524-022-00773-z |
| Tags: |
Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!
|