Načítá se...
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....
Uloženo v:
| Hlavní autoři: | , , , , , , |
|---|---|
| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
Nature Portfolio
2022-05-01
|
| Edice: | npj Computational Materials |
| On-line přístup: | https://doi.org/10.1038/s41524-022-00773-z |
| Tagy: |
Přidat tag
Žádné tagy, Buďte první, kdo otaguje tento záznam!
|