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