Classification of explicit three-stage symplectic difference schemes for the numerical solution of natural Hamiltonian systems: a comparative study of the accuracy of high-order schemes on molecular dynamics problems

DOI10.1134/S0965542516040138zbMath1351.65099OpenAlexW2399678552MaRDI QIDQ327235

V. N. Sofronov, V. E. Shemarulin

Publication date: 19 October 2016

Published in: Computational Mathematics and Mathematical Physics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1134/s0965542516040138

zbMATH Keywords

classificationHamiltonian systemsmolecular dynamicsapproximation orderphase flowdescriptionnumerical resultsymplectic difference schemes

Mathematics Subject Classification ID

Molecular physics (81V55) Numerical methods for Hamiltonian systems including symplectic integrators (65P10) Finite difference and finite volume methods for ordinary differential equations (65L12) Discretization methods and integrators (symplectic, variational, geometric, etc.) for dynamical systems (37M15)

Related Items

Optimal four-stage symplectic integrators for molecular dynamics problems, Higher-order symplectic integration techniques for molecular dynamics problems, An efficient method of finding new symplectic schemes for Hamiltonian mechanics problems with the aid of parametric Gröbner bases

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