Molecular Dynamics Techniques for Complex Molecular Systems

The interactions in realistic models of complex molecular systems are characterized by different length and time scales. In this Chapter we first present a brief discussion of the origin of this variety. Next we review some of the techniques that have been developed for an optimal and efficient treatment of the forces derived from these interactions when applied in a molecular dynamics algorithm.

By: M. Sprik

Published in: Observation, Prediction and Simulation of Phase Transitions in Complex Fluids, NATO ASI Series C, Vol. 460 ed. by M. Baus, L.F. Rull and J.-P. Ryckaert., Dordrecht, Kluwer, p.421-61 in 1996

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