Some remarks on sampling methods in Molecular Dynamics

DOI10.1051/PROC:072226MaRDI QIDQ5458482zbMATH OpenOpenAlexFDO

Authors F. Legoll, Tony Lelièvre, Gabriel Stoltz

Publication date 14 April 2008

Published in ESAIM: Proceedings (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1051/proc:072226

zbMATH Keywords

ergodicityMarkov chainsstochastic differential equationsmolecular dynamics

Mathematics Subject Classification ID

Numerical analysis or methods applied to Markov chains (65C40) Ergodicity, mixing, rates of mixing (37A25) Dynamical aspects of statistical mechanics (37A60) Numerical solutions to stochastic differential and integral equations (65C30) Statistical thermodynamics (82B30)

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• Path sampling with stochastic dynamics: some new algorithms
• Some Remarks on Preconditioning Molecular Dynamics
• Partial differential equations and stochastic methods in molecular dynamics
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• Computation of equilibrium densities in metastable dynamical systems by domain decomposition
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• A metadynamics-based approach to sampling crystallisation events
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