GPGPU performance evaluation of some basic molecular dynamics algorithms. - Alexander S. Minkin; Anton B. Teslyuk; Andrey A. Knizhnik; Boris V. Potapkin (HPCS, 2015)

GPU implementations of some many-body potentials for molecular dynamics simulations. - Alexander S. Minkin; Andrey A. Knizhnik; Boris V. Potapkin (Adv. Eng. Softw., 2017)