Accelerating Monte Carlo molecular simulations by reweighting and reconstructing Markov chains: extrapolation of canonical ensemble averages and second derivatives to different temperature and density conditions
DOI10.1016/J.JCP.2014.03.038zbMath1349.65015OpenAlexW2033053113MaRDI QIDQ349153
Amgad Salama, Shuyu Sun, Ahmad Kadoura
Publication date: 5 December 2016
Published in: Journal of Computational Physics (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1016/j.jcp.2014.03.038
Monte Carlocanonical ensemblemolecular simulationLennard-Jones modelMarkov chain reweighting and reconstruction
Computational methods in Markov chains (60J22) Monte Carlo methods (65C05) Classical and relativistic thermodynamics (80A10)
Cites Work
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