Simulation algorithm that conserves energy and momentum for molecular dynamics of systems driven by switching potentials

DOI10.1155/2009/215815zbMATH Open1180.82112OpenAlexW2057416415WikidataQ58648917 ScholiaQ58648917MaRDI QIDQ1036293FDOQ1036293

Authors: Christopher Gunaseelan Jesudason 

Publication date: 13 November 2009

Published in: Mathematical Problems in Engineering (Search for Journal in Brave)

Full work available at URL: https://eudml.org/doc/45808

Recommendations

• scientific article
• Energy-momentum conserving integration schemes for molecular dynamics
• An efficient algorithm for equations of motion of molecular dynamical systems
• An optimized algorithm for molecular dynamics simulation of large-scale systems
• Adaptive multi-stage integrators for optimal energy conservation in molecular simulations
• A molecular dynamics method for simulation of a thermodynamic equilibrium
• Efficient coarse-grained molecular simulations in the multibody dynamics scheme
• A generalized Hamiltonian-based algorithm for rigorous equilibrium molecular dynamics simulation in the canonical ensemble
• scientific article; zbMATH DE number 1262862
• Correcting mesh-based force calculations to conserve both energy and momentum in molecular dynamics simulations

zbMATH Keywords

molecular dynamics simulationhysteresis loop reaction model

Mathematics Subject Classification ID

Cites Work

• Title not available (Why is that?)
• Model hysteresis dimer molecule. I: Equilibrium properties

Cited In (3)

• Title not available (Why is that?)
• Equilibrium properties of a hysteresis dimer molecule from MD simulations using two-body potentials
• A combined event-driven/time-driven molecular dynamics algorithm for the simulation of shock waves in rarefied gases

This page was built for publication: Simulation algorithm that conserves energy and momentum for molecular dynamics of systems driven by switching potentials

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q1036293)