Computation of free energy differences through nonequilibrium stochastic dynamics: The reaction coordinate case
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Publication:876022
DOI10.1016/j.jcp.2006.08.003zbMath1197.82087arXivcond-mat/0603426OpenAlexW2021501997WikidataQ56689525 ScholiaQ56689525MaRDI QIDQ876022
Gabriel Stoltz, Mathias Rousset, Tony Lelièvre
Publication date: 16 April 2007
Published in: Journal of Computational Physics (Search for Journal in Brave)
Full work available at URL: https://arxiv.org/abs/cond-mat/0603426
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Related Items (16)
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Uses Software
Cites Work
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- Systematic finite-sampling inaccuracy in free energy differences and other nonlinear quantities
- Equilibrium sampling from nonequilibrium dynamics
- RATTLE: A velocity version of the SHAKE algorithm for molecular dynamics calculations
- Conditional path sampling of SDEs and the Langevin MCMC method
- Simulating Hamiltonian Dynamics
- Statistical Mechanics of Fluid Mixtures
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