Direct calculation of solid-liquid equilibria from density-of-states Monte Carlo simulations.
about
Methods for calculating the entropy and free energy and their application to problems involving protein flexibility and ligand binding.Solubility of KF and NaCl in water by molecular simulation.Simulation via direct computation of partition functionsPhase diagram of the Weeks-Chandler-Andersen potential from very low to high temperatures and pressures.Melting line of the Lennard-Jones system, infinite size, and full potential.Order-parameter-based Monte Carlo simulation of crystallization.Improved density of states Monte Carlo method based on recycling of rejected states.Accelerating flat-histogram methods for potential of mean force calculations.Sculpting bespoke mountains: Determining free energies with basis expansions.Thermodynamics of a conformational change using a random walk in energy-reaction coordinate space: Application to methane dimer hydrophobic interactions.Optimal modification factor and convergence of the Wang-Landau algorithm.Wang-Landau algorithm: a theoretical analysis of the saturation of the error.Fast algorithm to calculate density of states.Wang-Landau algorithm for continuous models and joint density of states.Solid-liquid interface free energy through metadynamics simulations
P2860
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P2860
Direct calculation of solid-liquid equilibria from density-of-states Monte Carlo simulations.
description
2005 nî lūn-bûn
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2005年の論文
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2005年学术文章
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2005年学术文章
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2005年学术文章
@zh-cn
2005年学术文章
@zh-hans
2005年学术文章
@zh-my
2005年学术文章
@zh-sg
2005年學術文章
@yue
2005年學術文章
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name
Direct calculation of solid-li ...... tates Monte Carlo simulations.
@en
Direct calculation of solid-li ...... tates Monte Carlo simulations.
@nl
type
label
Direct calculation of solid-li ...... tates Monte Carlo simulations.
@en
Direct calculation of solid-li ...... tates Monte Carlo simulations.
@nl
prefLabel
Direct calculation of solid-li ...... tates Monte Carlo simulations.
@en
Direct calculation of solid-li ...... tates Monte Carlo simulations.
@nl
P2860
P356
P1476
Direct calculation of solid-li ...... tates Monte Carlo simulations.
@en
P2093
Ethan A Mastny
Juan J de Pablo
P2860
P304
P356
10.1063/1.1874792
P407
P577
2005-03-01T00:00:00Z