Higher-order symplectic integration techniques for molecular dynamics problems
From MaRDI portal
Publication:2133583
DOI10.1016/j.jcp.2021.110905OpenAlexW4200496470MaRDI QIDQ2133583
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
Numerical methods for ordinary differential equations (65Lxx) Numerical problems in dynamical systems (65Pxx) General theory for ordinary differential equations (34Axx)
Related Items
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 ⋮ A general method of finding new symplectic schemes for Hamiltonian mechanics
Uses Software
Cites Work
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- 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
- Symplectic analytically integrable decomposition algorithms: classification, derivation, and application to molecular dynamics, quantum and celestial mechanics simulations
- Fourth-order symplectic integration
- The Liouville theorem and accurate plasma simulation
- Canonical Runge-Kutta-Nyström methods of orders five and six
- Practical symplectic partitioned Runge-Kutta and Runge-Kutta-Nyström methods
- A Concise Introduction to Geometric Numerical Integration
- The Development of Variable-Step Symplectic Integrators, with Application to the Two-Body Problem
- Solving Ordinary Differential Equations I
- Simulating Hamiltonian Dynamics
- Splitting methods
- The accuracy of symplectic integrators
- Explicit Canonical Methods for Hamiltonian Systems
- Geometric Numerical Integration
- A Simplex Method for Function Minimization