Abstract
The purpose of this series of lectures is to describe the way in which fast computers can be used in simulating the microscopic behaviour of liquids. We shall be concerned in particular with the method of molecular dynamics, a technique developed and first exploited by Alder and Wainwright[1]. Such calculations are often referred to as computer “experiments”, a usage of the term which true experimentalists sometimes deplore! The discussion will cover a variety of aspects of the method: its underlying philosophy, if that is not too pretentious a phrase; the technical problems connected with its realization; and some examples of its usefulness in liquid-state research. Naturally the selection of topics is somewnat arbitrary, but I hope that it will give an idea of the wide range of problems which have been, or could be studied.
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© 1978 Plenum Press, New York
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McDonald, I.R. (1978). Molecular Dynamics: Principles and Applications. In: Dupuy, J., Dianoux, A.J. (eds) Microscopic Structure and Dynamics of Liquids. NATO Advanced Study Institutes Series, vol 33. Springer, Boston, MA. https://doi.org/10.1007/978-1-4684-0859-1_2
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