Assessment and Optimization of Configurational-Bias Monte Carlo Particle Swap Strategies for Simulations of Water in the Gibbs Ensemble.
Sign Up to like & getrecommendations! Published in 2017 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.6b00973
Abstract: Particle swap moves between phases are usually the rate-limiting step for Gibbs ensemble Monte Carlo (GEMC) simulations of fluid phase equilibria at low reduced temperatures because the acceptance probabilities for these moves can become very… read more here.
Keywords: configurational bias; gibbs ensemble; monte; monte carlo ... See more keywords
Relations between dissipated work and Rényi divergences in the generalized Gibbs ensemble
Sign Up to like & getrecommendations! Published in 2018 at "Physical Review A"
DOI: 10.1103/physreva.97.042132
Abstract: In this work, we show that the dissipation in a many-body system under an arbitrary non-equilibrium process is related to the R\'{e}nyi divergences between two states along the forward and reversed dynamics under very general… read more here.
Keywords: work; gibbs ensemble; nyi divergences; dissipated work ... See more keywords
Measuring effective temperatures in a generalized Gibbs ensemble.
Sign Up to like & getrecommendations! Published in 2017 at "Physical Review E"
DOI: 10.1103/physreve.95.052116
Abstract: The local physical properties of an isolated quantum statistical system in the stationary state reached long after a quench are generically described by the Gibbs ensemble, which involves only its Hamiltonian and the temperature as… read more here.
Keywords: gibbs ensemble; temperatures generalized; measuring effective; effective temperatures ... See more keywords
Modeling Electric Double-Layer Capacitors Using Charge Variation Methodology in Gibbs Ensemble
Sign Up to like & getrecommendations! Published in 2018 at "Frontiers in Energy Research"
DOI: 10.3389/fenrg.2017.00036
Abstract: Supercapacitors deliver higher power than batteries, and find applications in grid integration and electric vehicles. Recent work by Chmiola et al. 2006[6] has revealed unexpected increase in the capacitance of porous carbon electrodes using ionic… read more here.
Keywords: methodology; gibbs ensemble; electric double; double layer ... See more keywords