Applications of the simulated annealing method to intermolecular interactions | Zendy

Nilar Shahul H. | Zendy

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Applications of the simulated annealing method to intermolecular interactions

Author(s) -

Nilar Shahul H.

Publication year - 1991

Publication title -

journal of computational chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.907

H-Index - 188

eISSN - 1096-987X

pISSN - 0192-8651

DOI - 10.1002/jcc.540120813

Subject(s) - simulated annealing , intermolecular force , annealing (glass) , molecule , molecular dynamics , quantum annealing , chemical physics , quantum , potential energy surface , materials science , range (aeronautics) , computational chemistry , statistical physics , chemistry , computer science , algorithm , physics , quantum mechanics , quantum computer , organic chemistry , composite material

The Simulated Annealing method using a quantum mechanical potential energy surface is used to study the interactions of molecules and the formation of clusters. The results obtained for a range of systems are in good agreement with other theoretical calculations and experimental data where available.

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