![]() ISSN 2542–0380 |
Труды Института механики им. Р.Р. Мавлютова
Электронный научный журнал | Electronic Scientific Journal
Proceedings of the Mavlyutov Institute of Mechanics
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The paper presents results on acceleration of molecular dynamics simulations with the usage of GPUs. A system of water molecules is considered as an example of polar liquid. The intermolecular interaction is modeled with the usage of Coulomb and truncated Lennard-Jones potentials. Results of computational experiments on acceleration and performance of the developed code are presented.