Higher-order symplectic integration techniques for molecular dynamics problems

DOI10.1016/J.JCP.2021.110905MaRDI QIDQ2133583zbMATH OpenOpenAlexFDO

Authors Yanyan Li

Publication date 4 May 2022

Published in Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/j.jcp.2021.110905

zbMATH Keywords

Hamilton equationsmolecular dynamicsstabilitysymplectic difference schemes

Mathematics Subject Classification ID

General theory for ordinary differential equations (34Axx) Numerical methods for ordinary differential equations (65Lxx) Numerical problems in dynamical systems (65Pxx)

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Cites work

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Cited in

(8)

• A general method of finding new symplectic schemes for Hamiltonian mechanics
• scientific article; zbMATH DE number 1595177 (Why is no real title available?)
• scientific article; zbMATH DE number 1405381 (Why is no real title available?)
• An efficient method of finding new symplectic schemes for Hamiltonian mechanics problems with the aid of parametric Gröbner bases
• A coupled particle model with particle shifting technology for simulating transient viscoelastic fluid flow with free surface
• New three- and five-stage symplectic schemes in the Forest-Ruth family
• Numerical investigation on a comprehensive high-order finite particle scheme
• An adaptive time-step energy-preserving variational integrator for flexible multibody system dynamics

Describes a project that uses

Uses Software

• Mathematica

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