Comparative study of the accuracy of higher-order difference schemes for molecular dynamics problems using the computer algebra means

DOI10.1007/978-3-030-60026-6_35OpenAlexW3097220359MaRDI QIDQ2110251

Yanyan Li

Publication date: 21 December 2022

Full work available at URL: https://doi.org/10.1007/978-3-030-60026-6_35

zbMATH Keywords

Gröbner basesmolecular dynamicsHamilton equationssymplectic difference schemesCAS \textit{Mathematica}

Mathematics Subject Classification ID

Symbolic computation and algebraic computation (68W30)

Related Items (3)

Optimal four-stage symplectic integrators for molecular dynamics problems ⋮ An efficient method of finding new symplectic schemes for Hamiltonian mechanics problems with the aid of parametric Gröbner bases ⋮ A general method of finding new symplectic schemes for Hamiltonian mechanics

Uses Software

• Mathematica

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