Thermostats for “Slow” Configurational Modes View Full Text


Ontology type: schema:ScholarlyArticle      Open Access: True


Article Info

DATE

2007-09

AUTHORS

Alex A. Samoletov, Carl P. Dettmann, Mark A. J. Chaplain

ABSTRACT

Thermostats are dynamical equations used to model thermodynamic variables such as temperature and pressure in molecular simulations. For computationally intensive problems such as the simulation of biomolecules, we propose to average over fast momentum degrees of freedom and construct thermostat equations in configuration space. The equations of motion are deterministic analogues of the Smoluchowski dynamics in the method of stochastic differential equations. More... »

PAGES

1321-1336

References to SciGraph publications

  • 1999-09. A Remark on the Kramers Problem in JOURNAL OF STATISTICAL PHYSICS
  • 1972. Stochastic Differential Equations in NONE
  • 1999. Statistical Mechanics, A Short Treatise in NONE
  • 2004. Handbook of Stochastic Methods in NONE
  • Identifiers

    URI

    http://scigraph.springernature.com/pub.10.1007/s10955-007-9365-2

    DOI

    http://dx.doi.org/10.1007/s10955-007-9365-2

    DIMENSIONS

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