A test problem for molecular dynamics integrators

DOI10.1093/IMANUM/DRH023MaRDI QIDQ4670200zbMATH OpenOpenAlexFDO

Authors Paul F. Tupper

Publication date 18 April 2005

Published in IMA Journal of Numerical Analysis (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1093/imanum/drh023

zbMATH Keywords

equations and systems with randomnessHamiltonian systemsstatistical mechanicssymplectic numerical methods

Mathematics Subject Classification ID

Ordinary differential equations and systems with randomness (34F05) Discretization methods and integrators (symplectic, variational, geometric, etc.) for dynamical systems (37M15) Gaussian processes (60G15) Interacting random processes; statistical mechanics type models; percolation theory (60K35) Numerical methods for Hamiltonian systems including symplectic integrators (65P10) Hamilton's equations (70H05)

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