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.
CITATION STYLE
Schlick, T. (2002). Molecular Dynamics: Basics (pp. 383–418). https://doi.org/10.1007/978-0-387-22464-0_12
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