Abstract
Molecular dynamics (MD) simulations represent the computer approach to statistical mechanics. As a counterpart to experiment, MD simulations are used to estimate equilibrium and dynamic properties of complex systems that cannot be calculated analytically. Representing the exciting interface between theory and experiment, MD simulations occupy a venerable position at the crossroads of mathematics, biology, chemistry, physics, and computer science.
Time is defined so that motion looks simple.
John Archibald Wheeler, American theoretical physicist (1911–).
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© 2002 Springer Science+Business Media New York
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Schlick, T. (2002). Molecular Dynamics: Basics. In: Molecular Modeling and Simulation. Interdisciplinary Applied Mathematics, vol 21. Springer, New York, NY. https://doi.org/10.1007/978-0-387-22464-0_12
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DOI: https://doi.org/10.1007/978-0-387-22464-0_12
Publisher Name: Springer, New York, NY
Print ISBN: 978-1-4757-5893-1
Online ISBN: 978-0-387-22464-0
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