Premium
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.