Carregant...
Multi-level free energy simulation with a staged transformation approach
Combining multiple levels of theory in free energy simulations to balance computational accuracy and efficiency is a promising approach for studying processes in the condensed phase. While the basic idea has been proposed and explored for quite some time, it remains challenging to achieve convergenc...
Guardat en:
| Publicat a: | J Chem Phys |
|---|---|
| Autors principals: | , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
AIP Publishing LLC
2020
|
| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7386948/ https://ncbi.nlm.nih.gov/pubmed/32752685 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/5.0012494 |
| Etiquetes: |
Afegir etiqueta
Sense etiquetes, Sigues el primer a etiquetar aquest registre!
|