246 citations · 590 across the 16 of their papers we have counts for
5 papers · 1 filter
Rare-Event Sampling: Occupation-Based Performance Measures for Parallel Tempering and Infinite Swapping Monte Carlo Methods
J. D. Doll, Nuria Plattner, David L. Freeman +2
In the present paper we identify a rigorous property of a number of tempering-based Monte Carlo sampling methods, including parallel tempering as well as partial and infinite swapp…
Phase changes in selected Lennard-Jones X_{13-n}Y_n clusters
Dubravko Sabo, Cristian Predescu, J. D. Doll +1
Detailed studies of the thermodynamic properties of selected binary Lennard-Jones clusters of the type X_{13-n}Y_n (where n=1,2,3) are presented. The total energy, heat capacity an…
Heat capacity estimators for random series path-integral methods by finite-difference schemes
Cristian Predescu, Dubravko Sabo, J. D. Doll +1
Previous heat capacity estimators used in path integral simulations either have large variances that grow to infinity with the number of path variables or require the evaluation of…
Energy estimators for random series path-integral methods
Cristian Predescu, Dubravko Sabo, J. D. Doll +1
We perform a thorough analysis on the choice of estimators for random series path integral methods. In particular, we show that both the thermodynamic (T-method) and the direct (H-…
Asymptotic convergence of the partial averaging technique
Cristian Predescu, J. D. Doll, David L. Freeman
We study the asymptotic convergence of the partial averaging method, a technique used in conjunction with the random series implementation of the Feynman-Kac formula. We prove asym…