What makes molecular dynamics work?
DOI10.1137/070683660zbMATH Open1208.37037OpenAlexW2040099316WikidataQ33567571 ScholiaQ33567571MaRDI QIDQ3558693FDOQ3558693
Authors: Robert D. Skeel 
Publication date: 6 May 2010
Published in: SIAM Journal on Scientific Computing (Search for Journal in Brave)
Full work available at URL: http://europepmc.org/articles/pmc2800798
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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)
Cited In (6)
- 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
- A Conjecture about Molecular Dynamics
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