Cargando…
Quantum neural networks force fields generation
Accurate molecular force fields are of paramount importance for the efficient implementation of molecular dynamics techniques at large scales. In the last decade, machine learning (ML) methods have demonstrated impressive performances in predicting accurate values for energy and forces when trained...
| Autores principales: | , , , |
|---|---|
| Lenguaje: | eng |
| Publicado: |
2022
|
| Materias: | |
| Acceso en línea: | https://dx.doi.org/10.1088/2632-2153/ac7d3c http://cds.cern.ch/record/2803698 |