Optimal four-stage symplectic integrators for molecular dynamics problems

DOI10.1007/978-3-030-85165-1_24MaRDI QIDQ832003zbMATH OpenOpenAlexFDO

Authors N. E. Zubov

Publication date 24 March 2022

Full work available at URL https://doi.org/10.1007/978-3-030-85165-1_24

zbMATH Keywords

stability[https://portal.mardi4nfdi.de/w/index.php?title=+Special%3ASearch&search=Gr%EF%BF%BD%EF%BF%BDbner+bases&go=Go Gr��bner bases]molecular dynamicsHamilton equationssymplectic four-stage schemes

Mathematics Subject Classification ID

Symbolic computation and algebraic computation (68W30)

Cites work

• scientific article; zbMATH DE number 3729352 (Why is no real title available?)
• scientific article; zbMATH DE number 4124914 (Why is no real title available?)
• scientific article; zbMATH DE number 638938 (Why is no real title available?)
• A Simplex Method for Function Minimization
• Canonical Runge-Kutta-Nyström methods of orders five and six
• 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
• Comparative study of the accuracy of higher-order difference schemes for molecular dynamics problems using the computer algebra means
• Derivation of explicit difference schemes for ordinary differential equations with the aid of Lagrange-Burmann expansions
• Fourth-order symplectic integration
• Optimized Forest-Ruth- and Suzuki-like algorithms for integration of motion in many-body systems
• Solving Ordinary Differential Equations I
• Symbolic derivation of Runge-Kutta methods
• Symplectic Geometric Algorithms for Hamiltonian Systems
• Symplectic integrators for long-term integrations in celestial mechanics
• The Liouville theorem and accurate plasma simulation

Cited in

(6)

• FOURTH ORDER SYMPLECTIC INTEGRATION WITH REDUCED PHASE ERROR
• An efficient method of finding new symplectic schemes for Hamiltonian mechanics problems with the aid of parametric Gröbner bases
• Are Gauss-Legendre methods useful in molecular dynamics?
• A general method of finding new symplectic schemes for Hamiltonian mechanics
• Higher-order symplectic integration techniques for molecular dynamics problems
• New three- and five-stage symplectic schemes in the Forest-Ruth family

Describes a project that uses

Uses Software

• Mathematica

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