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A Metropolis adjusted Nosé-Hoover thermostat
Published online by Cambridge University Press: 08 July 2009
Abstract
We present a Monte Carlo technique for sampling from thecanonical distribution in molecular dynamics. The method is built uponthe Nosé-Hoover constant temperature formulation and the generalizedhybrid Monte Carlo method. In contrast to standard hybrid Monte Carlo methodsonly the thermostat degree of freedom is stochastically resampled during a Monte Carlo step.
- Type
- Research Article
- Information
- ESAIM: Mathematical Modelling and Numerical Analysis , Volume 43 , Issue 4: Special issue on Numerical ODEs today , July 2009 , pp. 743 - 755
- Copyright
- © EDP Sciences, SMAI, 2009
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