A carregar...
Approaching coupled cluster accuracy with a general-purpose neural network potential through transfer learning
Computational modeling of chemical and biological systems at atomic resolution is a crucial tool in the chemist’s toolset. The use of computer simulations requires a balance between cost and accuracy: quantum-mechanical methods provide high accuracy but are computationally expensive and scale poorly...
Na minha lista:
| Publicado no: | Nat Commun |
|---|---|
| Main Authors: | , , , , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Nature Publishing Group UK
2019
|
| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6602931/ https://ncbi.nlm.nih.gov/pubmed/31263102 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41467-019-10827-4 |
| Tags: |
Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!
|