Communication: Equation of state of hard oblate ellipsoids by replica exchange Monte Carlo
نویسندگان
چکیده
منابع مشابه
Replica exchange Monte Carlo applied to hard spheres.
In this work a replica exchange Monte Carlo scheme which considers an extended isobaric-isothermal ensemble with respect to pressure is applied to study hard spheres (HSs). The idea behind the proposal is expanding volume instead of increasing temperature to let crowded systems characterized by dominant repulsive interactions to unblock, and so, to produce sampling from disjoint configurations....
متن کاملEquilibrium equation of state of a hard sphere binary mixture at very large densities using replica exchange Monte Carlo simulations.
We use replica exchange Monte Carlo simulations to measure the equilibrium equation of state of the disordered fluid state for a binary hard sphere mixture up to very large densities where standard Monte Carlo simulations do not easily reach thermal equilibrium. For the moderate system sizes we use (up to N = 100), we find no sign of a pressure discontinuity near the location of dynamic glass s...
متن کاملReplica exchange statistical temperature Monte Carlo.
The replica exchange statistical temperature Monte Carlo algorithm (RESTMC) is presented, extending the single-replica STMC algorithm [J. Kim, J. E. Straub, and T. Keyes, Phys. Rev. Lett. 97, 050601 (2006)] to alleviate the slow convergence of the conventional temperature replica exchange method (t-REM) with increasing system size. In contrast to the Gibbs-Boltzmann sampling at a specific tempe...
متن کاملOn the acceptance probability of replica-exchange Monte Carlo trials
An analysis is presented of the average probability of accepting an exchange trial in the parallel-tempering Monte Carlo molecular simulation method. Arguments are given that this quantity should be related to the entropy difference between the phases, and results from simulations of a simple Lennard-Jones system are presented to support this argument qualitatively. Another analysis based on th...
متن کاملReplica-exchange Monte Carlo scheme for bayesian data analysis.
We develop a sampling algorithm to explore the probability densities arising in Bayesian data analysis problems. Our algorithm is a multiparameter generalization of a replica-exchange Monte Carlo scheme. The strategy relies on gradual weighing of experimental data and on Tsallis generalized statistics. We demonstrate the effectiveness of the method on nuclear magnetic resonance data for a folde...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2011
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.3596728