5. Appendice
Without claiming to be exhaustive, the aim here is to list other methods that can be used with the same objective as molecular dynamics, in order to guide the user in choosing the most suitable method.
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5.1.1 Molecular quasi-static or atomic quasi-static
This method is used to calculate the minimum potential energy of a set of atoms or molecules at absolute zero (0 K). The resulting state of matter is called the ground state. This state is sought by minimizing the potential...
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Appendice
References
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(1) - ALLEN (M.P), TILDESLEY (D.J) -
Computer simulation of liquid.
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Oxford University Press Inc. New York p. 385, bibl. (env 600 réf.) (1987).
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(2) - FRENKEL (D.), BEREND (S.) -
Understanding molecular simulation.
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Academic Press p. 443,...
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