Statistical contact model for confined molecules

DOI10.1007/S10955-016-1569-XzbMath1351.82063OpenAlexW2461589501MaRDI QIDQ321356

Antonio Alvarez de la Paz, Luke Roskop, Ruben Santamaria, Ludwik Adamowicz

Publication date: 13 October 2016

Published in: Journal of Statistical Physics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10955-016-1569-x

zbMATH Keywords

Langevinequation of motionenergy balance equationmolecular dynamics simulationfirst-principles approachsystem of atoms

Mathematics Subject Classification ID

Stochastic methods (Fokker-Planck, Langevin, etc.) applied to problems in time-dependent statistical mechanics (82C31) Atomic physics (81V45) Kinetic theory of gases in time-dependent statistical mechanics (82C40) Statistical mechanics of nanostructures and nanoparticles (82D80)

Uses Software

• GAMESS
• NWChem

Cites Work

• \texttt{NWChem}: a comprehensive and scalable open-source solution for large scale molecular simulations
• Statistical Mechanics of Assemblies of Coupled Oscillators
• Stochastic Problems in Physics and Astronomy
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