A geometric approach to constrained molecular dynamics and free energy

DOI10.4310/CMS.2005.v3.n1.a1zbMath1078.65009MaRDI QIDQ2567546

Carsten Hartmann, Christof Schütte

Publication date: 11 October 2005

Published in: Communications in Mathematical Sciences (Search for Journal in Brave)

Full work available at URL: https://projecteuclid.org/euclid.cms/1111095637

zbMATH Keywords

free energy; affine connection; molecular dynamics; metric entropy; normal connection; hybrid Monte-Carlo algorithm

Mathematics Subject Classification ID

82C22: Interacting particle systems in time-dependent statistical mechanics

81V55: Molecular physics

70F20: Holonomic systems related to the dynamics of a system of particles

65C35: Stochastic particle methods

70G10: Generalized coordinates; event, impulse-energy, configuration, state, or phase space for problems in mechanics

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