A neural-network controlled dynamic evolutionary scheme for global molecular geometry optimization
نویسندگان
چکیده
منابع مشابه
A Neural-Network Controlled Dynamic Evolutionary Scheme for Global Molecular Geometry Optimization
Studying the molecular properties and reactivity of molecular systems requires, in a majority of cases, finding the geometric structure of a molecule corresponding to the (global) energy minimum. The issue is especially difficult in studies on nanoand biosystems. The difficulty arises from the fact that the number of local minima on the potential energy hypersurface is growing exponentially wit...
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ژورنال
عنوان ژورنال: International Journal of Applied Mathematics and Computer Science
سال: 2011
ISSN: 1641-876X
DOI: 10.2478/v10006-011-0044-8