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A New Time-Reversible Integrator for Molecular Dynamics Applications

Vasilii Zhakhovskii
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Abstract

Molecular Dynamics method is based on solution of Newtonian differential equations of motion. A new very accurate and efficient time-reversible explicit integrator was derived on the basis of second order Tailor expansion of force. There is good reason to think the new method will be easy-to-use for MD and, possibly, celestial mechanics applications.

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Vasilii Zhakhovskii. 2004-11-06. A New Time-Reversible Integrator for Molecular Dynamics Applications. https://arxiv.org/abs/physics/0405124

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