VASP hits the memory wall: Processors efficiency comparison - Vladimir V. Stegailov; Grigory S. Smirnov; Vyacheslav S. Vecher (Concurr. Comput. Pract. Exp., 2019)

Angara interconnect makes GPU-based Desmos supercomputer an efficient tool for molecular dynamics calculations - Vladimir V. Stegailov; Ekaterina Dlinnova; Timur Z. Ismagilov; Mikhail Khalilov; Nikolay Kondratyuk; Dmitry Makagon; Alexander Semenov; Alexei Simonov; Grigory S. Smirnov; Alexey Timofeev (Int. J. High Perform. Comput. Appl., 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 (Supercomputing - 5th Russian Supercomputing Days, RuSCDays 2019, Moscow, Russia, September 23-24, 2019, Revised Selected Papers, 2019)

Hybrid Codes for Atomistic Simulations on the Desmos Supercomputer: GPU-acceleration, Scalability and Parallel I/O - Nikolay Kondratyuk; Grigory S. Smirnov; Vladimir V. Stegailov (Supercomputing - 4th Russian Supercomputing Days, RuSCDays 2018, Moscow, Russia, September 24-25, 2018, Revised Selected Papers, 2018)

Atomistic Modeling and Simulation for Solving Gas Extraction Problems - Genri E. Norman; Vasily V. Pisarev; Grigory S. Smirnov; Vladimir V. Stegailov (Molecular Modeling and the Materials Genome: Foundations of Molecular Modeling and Simulation 2015, FOMMS 2015, The Resort at the Mountains, Mt. Hood, OR, USA, July 12-16, 2015, 2015)

HPC Hardware Efficiency for Quantum and Classical Molecular Dynamics - Vladimir V. Stegailov; Nikita D. Orekhov; Grigory S. Smirnov (Parallel Computing Technologies - 13th International Conference, PaCT 2015, Petrozavodsk, Russia, August 31 - September 4, 2015, Proceedings, 2015)