Molecular dynamic simulations of gases using a split-Hamiltonian method

DOI10.1016/S0168-9274(00)00060-XMaRDI QIDQ5939890zbMATH OpenOpenAlexWikidataFDO

Authors Jeffrey H. Schenker, B. Chen-Charpentier

Publication date 22 July 2002

Published in Applied Numerical Mathematics (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/s0168-9274(00)00060-x

zbMATH Keywords

CO(2)H(2)Omolecular dynamics simulationsrigid rotor motionsplit-Hamiltonian method

Mathematics Subject Classification ID

Numerical methods for Hamiltonian systems including symplectic integrators (65P10) Dynamics of a rigid body and of multibody systems (70E99) Hamiltonian and Lagrangian mechanics (70H99) Particle methods and lattice-gas methods (76M28) Continuum models (systems of particles, etc.) arising in equilibrium statistical mechanics (82B21) Statistical mechanics of gases (82D05)

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Cites work

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Cited in

(4)

• scientific article; zbMATH DE number 1595177 (Why is no real title available?)
• Determination of real gas macroparameters by molecular dynamics
• Nonequilibrium Gas Dynamics and Molecular Simulation
• Wave Packet Molecular Dynamics simulations of hydrogen at mbar pressures

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