Statistical contact model for confined molecules

DOI10.1007/S10955-016-1569-XMaRDI QIDQ321356zbMATH OpenOpenAlexFDO

Authors Ruben Santamaria, Antonio Alvarez de la Paz, Luke Roskop, 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

energy balance equationequation of motionfirst-principles approachLangevinmolecular dynamics simulationsystem of atoms

Mathematics Subject Classification ID

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

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Cites work

• \texttt{NWChem}: a comprehensive and scalable open-source solution for large scale molecular simulations
• scientific article; zbMATH DE number 5278506 (Why is no real title available?)
• scientific article; zbMATH DE number 1150738 (Why is no real title available?)
• scientific article; zbMATH DE number 3261539 (Why is no real title available?)
• Quantum mechanics. Vol. 2. Translated from the French original by Joachim v. Streubel and Jochen Balla.
• Statistical Mechanics of Assemblies of Coupled Oscillators
• Stochastic Problems in Physics and Astronomy

Cited in

(1)

• Statistical mechanics of confined systems with rotational excitations

Describes a project that uses

Uses Software

• NWChem
• GAMESS

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