A Conjecture about Molecular Dynamics

DOI10.1007/978-3-540-68850-1_5zbMath1391.82050arXivmath/0610124OpenAlexW1603677524MaRDI QIDQ3613494

Paul F. Tupper

Publication date: 12 March 2009

Published in: Mathematics and Computation, a Contemporary View (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/math/0610124

Mathematics Subject Classification ID

Stability and convergence of numerical methods for ordinary differential equations (65L20) Simulation of dynamical systems (37M05) Applications of statistical mechanics to specific types of physical systems (82D99)

Cites Work

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• Monitoring energy drift with shadow Hamiltonians
• A survey of shadowing methods for numerical solutions of ordinary differential equations
• On the Hamiltonian interpolation of near-to-the-identity symplectic mappings with application to symplectic integration algorithms
• Analysis and experiments for a computational model of a heat bath
• Simulating Hamiltonian Dynamics
• Computational chemistry from the perspective of numerical analysis
• Backward Error Analysis for Numerical Integrators
• Anosov parameter values for the triple linkage and a physical system with a uniformly chaotic attractor
• Theoretical and numerical comparison of some sampling methods for molecular dynamics
• Ergodicity and the Numerical Simulation of Hamiltonian Systems
• Stiff oscillatory systems, delta jumps and white noise

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