An Iterative Variable-timestep Algorithm for Molecular Dynamics Simulations
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Publication:4456386
DOI10.1080/0892702031000089650zbMath1038.81553OpenAlexW2082700293MaRDI QIDQ4456386
Michael T. Mury, Steven J. Stuart, Jacob M. Hicks
Publication date: 16 March 2004
Published in: Molecular Simulation (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1080/0892702031000089650
Software, source code, etc. for problems pertaining to quantum theory (81-04) Molecular physics (81V55)
Cites Work
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- Does variable step size ruin a symplectic integrator?
- Invariant curves for variable step size integrators
- A family of embedded Runge-Kutta formulae
- A new algorithm for molecular dynamics calculations
- Symplectic integrators for long-term integrations in celestial mechanics
- Variable steps for reversible integration methods
- Variable step size destabilizes the Störmer/leapfrog/Verlet method
- The Adaptive Verlet Method
- The Development of Variable-Step Symplectic Integrators, with Application to the Two-Body Problem
- A Time-Reversible Variable-Stepsize Integrator for Constrained Dynamics
- Explicit variable step-size and time-reversible integration