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| '''Integrators''' for [[molecular dynamics]]:
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| *[[Beeman's algorithm]]
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| *[[Predictor-Corrector methods]] | | *[[Predictor-Corrector methods]] |
| *[[Runge-Kutta method]] | | *[[Runge-Kutta method]] |
| *[[Symplectic integrators]] | | *[[Symplectic integrators]] |
| *[[Tapias-Sanders-Bravetti geometric integrator]] | | *[[Verlet leap-frog algorithm]] |
| | *[[Velocity Verlet algorithm]] |
| *[[Time step]] | | *[[Time step]] |
| **[[RESPA]], a multiple time step method | | **[[RESPA]], a multiple time step method |
| *[[Velocity Verlet algorithm]]
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| *[[Verlet leap-frog algorithm]]
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| ==See also==
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| *[[Molecular dynamics of rigid bodies]]
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| ==Related reading==
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| *Carl Störmer "Méthode d'intégration numérique des équations différentielles ordinaires", Comptes rendus du Congrès international des Mathématiciens (Strasbourg, 22-30 Sept. 1920) pp. 243-257 (1921)
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| *[http://dx.doi.org/10.1006/jcph.1997.5740 Alexy K. Mazur "Common Molecular Dynamics Algorithms Revisited: Accuracy and Optimal Time Steps of Störmer–Leapfrog Integrators", Journal of Computational Physics '''136''' pp. 354-365 (1997)]
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| *[http://dx.doi.org/10.1137/S0036142997329797 Sebastian Reich "Backward error analysis for numerical integrators", SIAM Journal on Numerical Analysis '''36''' pp. 1549-1570 (1999)] also: [http://www.jstor.org/discover/10.2307/2587170 Jstor link]
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| *[http://dx.doi.org/10.1063/1.4726728 Søren Toxvaerd, Ole J. Heilmann, and Jeppe C. Dyre "Energy conservation in molecular dynamics simulations of classical systems", Journal of Chemical Physics '''136''' 224106 (2012)]
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| *[http://dx.doi.org/10.1063/1.4768891 Søren Toxvaerd "Stability of molecular dynamics simulations of classical systems", Journal of Chemical Physics '''137''' 214102 (2012)]
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| [[category: molecular dynamics]] | | [[category: molecular dynamics]] |
| [[category: mathematics]] | | [[category: mathematics]] |