Simultaneous Computation of Dynamical and Equilibrium Information Using a Weighted Ensemble of Trajectories

[Image: see text] Equilibrium formally can be represented as an ensemble of uncoupled systems undergoing unbiased dynamics in which detailed balance is maintained. Many nonequilibrium processes can be described by suitable subsets of the equilibrium ensemble. Here, we employ the “weighted ensemble”...

Fuld beskrivelse

Na minha lista:
Bibliografiske detaljer
Main Authors: Suárez, Ernesto, Lettieri, Steven, Zwier, Matthew C., Stringer, Carsen A., Subramanian, Sundar Raman, Chong, Lillian T., Zuckerman, Daniel M.
Format: Artigo
Sprog:Inglês
Udgivet: American Chemical Society 2014
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC4168800/
https://ncbi.nlm.nih.gov/pubmed/25246856
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct401065r
Tags: Tilføj Tag
Ingen Tags, Vær først til at tagge denne postø!

Lignende værker