Efficiency of the Tegra K1 and X1 systems-on-chip for classical molecular dynamics. - Vsevolod P. Nikolskiy; Vladimir V. Stegailov; Vyacheslav S. Vecher (HPCS, 2016)

GPU Acceleration of Four-Site Water Models in LAMMPS. - Vsevolod P. Nikolskiy; Vladimir V. Stegailov (PARCO, 2019)

Performance and Portability of State-of-Art Molecular Dynamics Software on Modern GPUs. - Evgeny Kuznetsov; Nikolay Kondratyuk; Mikhail Logunov; Vsevolod P. Nikolskiy; Vladimir V. Stegailov (PPAM (1), 2019)

Performance and Scalability of Materials Science and Machine Learning Codes on the State-of-Art Hybrid Supercomputer Architecture. - Nikolay Kondratyuk; Grigory S. Smirnov; Alexander Agarkov; Anton Osokin; Vsevolod P. Nikolskiy; Alexander Semenov; Vladimir V. Stegailov (RuSCDays, 2019)

GPU-accelerated molecular dynamics: State-of-art software performance and porting from Nvidia CUDA to AMD HIP. - Nikolay Kondratyuk; Vsevolod P. Nikolskiy; Daniil Pavlov; Vladimir V. Stegailov (Int. J. High Perform. Comput. Appl., 2021)

GPU-based molecular dynamics of fluid flows: Reaching for turbulence. - Daniil Pavlov; Vladislav Galigerov; Daniil Kolotinskii; Vsevolod P. Nikolskiy; Vladimir V. Stegailov (Int. J. High Perform. Comput. Appl., 2024)