BSU bulletin
Mathematics, Informatics
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BSU bulletin. Mathematics, Informatics

Bibliographic description:
German E. I.
,
Tsydypov S. B.
METHODS FOR MODELING AND CALCULATING THE PROPERTIES OF NONEQUILIBRIUM PHASES OF MOLECULAR SYSTEMS // BSU bulletin. Mathematics, Informatics. - 2017. №1. . - С. 72-77.
Title:
METHODS FOR MODELING AND CALCULATING THE PROPERTIES OF NONEQUILIBRIUM PHASES OF MOLECULAR SYSTEMS
Financing:
Работа выполнена при поддержке РФФИ грант №15-02-08204а и базовой части госзадания МОН РФ грант №3822
Codes:
DOI: 10.18101/2304-5728-2017-1-72-77UDK: 519.688+536.4.032.2
Annotation:
The article deals with the principles of modernization of molecular dynamics method for modeling of nonequilibrium phases of molecular systems. We present the results of approbating this method in the computer experiment.
Keywords:
molecular dynamics, phase transitions, nonequilibrium systems, Verlet’s algorithm.
List of references: