A carregar...
Stratified UWHAM and Its Stochastic Approximation for Multicanonical Simulations Which are Far from Equilibrium
We describe a new analysis tool called Stratified unbinned Weighted Histogram Analysis Method (Stratified-UWHAM), which can be used to compute free energies and expectations from a multicanonical ensemble when a subset of the parallel simulations are far from being equilibrated because of barriers b...
Na minha lista:
| Publicado no: | J Chem Theory Comput |
|---|---|
| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2017
|
| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5897113/ https://ncbi.nlm.nih.gov/pubmed/28902500 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.7b00651 |
| Tags: |
Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!
|