Computing statistics for Hamiltonian systems: A case study

DOI10.1016/J.CAM.2006.05.036MaRDI QIDQ885933zbMATH OpenOpenAlexFDO

Authors Paul F. Tupper

Publication date 14 June 2007

Published in Journal of Computational and Applied Mathematics (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/j.cam.2006.05.036

zbMATH Keywords

numerical examplesHamiltonian systemsinvariant measuressymplectic integratorslong-time integrationstep-and-project methods

Mathematics Subject Classification ID

Numerical methods for Hamiltonian systems including symplectic integrators (65P10) Discretization methods and integrators (symplectic, variational, geometric, etc.) for dynamical systems (37M15)

Recommendations

• Ergodicity and the Numerical Simulation of Hamiltonian Systems
• A test problem for molecular dynamics integrators
• Symplectic integration of Hamiltonian systems
• scientific article; zbMATH DE number 177016
• A molecular dynamics model for symplectic intergrators

Cites work

• scientific article; zbMATH DE number 1584900 (Why is no real title available?)
• scientific article; zbMATH DE number 4041188 (Why is no real title available?)
• scientific article; zbMATH DE number 46777 (Why is no real title available?)
• scientific article; zbMATH DE number 702482 (Why is no real title available?)
• scientific article; zbMATH DE number 979834 (Why is no real title available?)
• scientific article; zbMATH DE number 1745051 (Why is no real title available?)
• A test problem for molecular dynamics integrators
• Backward Error Analysis for Numerical Integrators
• Ergodicity and the Numerical Simulation of Hamiltonian Systems
• Lie-Poisson Hamilton-Jacobi theory and Lie-Poisson integrators
• Monitoring energy drift with shadow Hamiltonians
• Non-ergodicity of two particles interacting via a smooth potential
• On the Hamiltonian interpolation of near-to-the-identity symplectic mappings with application to symplectic integration algorithms
• Statistics from computations
• The K-property of three billiard balls

Cited in

(7)

• Energy drift in molecular dynamics simulations
• A test problem for molecular dynamics integrators
• On the estimation and correction of discretization error in molecular dynamics averages
• Estimation, principal components and Hamiltonian systems
• Soft chaos in a Hamiltonian system with step potential. I: Statistical properties
• Complex aspects in Hamiltonian dynamics and statistics
• An ergodic sampling scheme for constrained Hamiltonian systems with applications to molecular dynamics

Describes a project that uses

Uses Software

• RODAS

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