Perturbations of finite-dimensional Hamiltonian systems, normal forms, small divisors, KAM theory, Arnol'd diffusion (37J40) Discretization methods and integrators (symplectic, variational, geometric, etc.) for dynamical systems (37M15) Applications of dynamical systems (37N99) Stability and convergence of numerical methods for ordinary differential equations (65L20) Numerical methods for Hamiltonian systems including symplectic integrators (65P10) Applications to the sciences (65Z05) Classical equilibrium statistical mechanics (general) (82B05) Classical dynamic and nonequilibrium statistical mechanics (general) (82C05)
- Molecular dynamics and the accuracy of numerically computed averages
- On the estimation and correction of discretization error in molecular dynamics averages
- A Conjecture about Molecular Dynamics
- Stochastic theory of the classical molecular dynamics method
- On the mathematical justification of experimental and computer physics
- On the estimation and correction of discretization error in molecular dynamics averages
- Stochastic theory of the classical molecular dynamics method
- A Conjecture about Molecular Dynamics
- On energy conservation of the simplified Takahashi-Imada method
- Molecular dynamics and the accuracy of numerically computed averages
- Flexible single molecule simulation of reaction-diffusion processes
- Discretization errors in molecular dynamics simulations with deterministic and stochastic thermostats
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