# A Metropolis adjusted Nosé-Hoover thermostat

Benedict Leimkuhler; Sebastian Reich

ESAIM: Mathematical Modelling and Numerical Analysis (2009)

- Volume: 43, Issue: 4, page 743-755
- ISSN: 0764-583X

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topLeimkuhler, Benedict, and Reich, Sebastian. "A Metropolis adjusted Nosé-Hoover thermostat." ESAIM: Mathematical Modelling and Numerical Analysis 43.4 (2009): 743-755. <http://eudml.org/doc/250604>.

@article{Leimkuhler2009,

abstract = {
We present a Monte Carlo technique for sampling from the
canonical distribution in molecular dynamics. The method is built upon
the Nosé-Hoover constant temperature formulation and the generalized
hybrid Monte Carlo method. In contrast to standard hybrid Monte Carlo methods
only the thermostat degree of freedom is stochastically resampled
during a Monte Carlo step.
},

author = {Leimkuhler, Benedict, Reich, Sebastian},

journal = {ESAIM: Mathematical Modelling and Numerical Analysis},

keywords = {Molecular dynamics; thermostats; hybrid Monte Carlo; canonical ensemble.; molecular dynamics; canonical ensemble},

language = {eng},

month = {7},

number = {4},

pages = {743-755},

publisher = {EDP Sciences},

title = {A Metropolis adjusted Nosé-Hoover thermostat},

url = {http://eudml.org/doc/250604},

volume = {43},

year = {2009},

}

TY - JOUR

AU - Leimkuhler, Benedict

AU - Reich, Sebastian

TI - A Metropolis adjusted Nosé-Hoover thermostat

JO - ESAIM: Mathematical Modelling and Numerical Analysis

DA - 2009/7//

PB - EDP Sciences

VL - 43

IS - 4

SP - 743

EP - 755

AB -
We present a Monte Carlo technique for sampling from the
canonical distribution in molecular dynamics. The method is built upon
the Nosé-Hoover constant temperature formulation and the generalized
hybrid Monte Carlo method. In contrast to standard hybrid Monte Carlo methods
only the thermostat degree of freedom is stochastically resampled
during a Monte Carlo step.

LA - eng

KW - Molecular dynamics; thermostats; hybrid Monte Carlo; canonical ensemble.; molecular dynamics; canonical ensemble

UR - http://eudml.org/doc/250604

ER -

## References

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