Implementation properties of many-body potentials on heterogeneous computing systems

MaRDI QIDQ2961231zbMATH OpenFDO

Authors A. A. Knizhnik, A. S. Minkin, B. V. Potapkin

Publication date 17 February 2017

Full work available at URL http://mathnet.ru/eng/mm3395

zbMATH Keywords

embedded-atom potentialgeneral purpose computationgraphics processing unitsmany-body interatomic potentialsOpenClTersoff potential

Mathematics Subject Classification ID

Statistical mechanics of nanostructures and nanoparticles (82D80) Computational molecular dynamics in statistical mechanics (82M37)

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(3)

• Enhanced calculation of eigen-stress field and elastic energy in atomistic interdiffusion of alloys
• On the use of parallel computing in studies of physical properties of nanostructures
• Numerical investigation of the 3D Hubbard model on a Linux cluster

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