טוען...
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...
שמור ב:
| הוצא לאור ב: | J Chem Theory Comput |
|---|---|
| Main Authors: | , , , |
| פורמט: | Artigo |
| שפה: | Inglês |
| יצא לאור: |
2017
|
| נושאים: | |
| גישה מקוונת: | 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 |
| תגים: |
הוספת תג
אין תגיות, היה/י הראשונ/ה לתייג את הרשומה!
|