THE EFFECTIVENESS OF LOCAL SEARCH METHODS IN THE PROBLEM OF FINDING THE MINIMUM ENERGY OF A 2-D CRYSTAL
Journal Title: Современные информационные технологии и ИТ-образование - Year 2017, Vol 13, Issue 2
Abstract
The work is devoted to solving the problem of finding the energy minimum of the aggregate of atoms of a fragment of a planar crystal lattice. A mathematical statement of the problem is given. For its solution, two classes of methods are used: quasi-Newton methods of the L-BFGS family and coordinate descent methods that do not require derivatives. It has been shown experimentally that, depending on the formulation, methods of one or another class are effective.
Authors and Affiliations
Andrei Gorchakov, Mikhail Posypkin
Keywords
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- EP ID EP320423
- DOI 10.25559/SITITO.2017.2.247
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