Atomistic Modeling and Simulation for Solving Gas Extraction Problems. - Genri E. Norman; Vasily V. Pisarev; Grigory S. Smirnov; Vladimir V. Stegailov (FOMMS, 2015)

HPC Hardware Efficiency for Quantum and Classical Molecular Dynamics. - Vladimir V. Stegailov; Nikita D. Orekhov; Grigory S. Smirnov (PaCT, 2015)

Hybrid Codes for Atomistic Simulations on the Desmos Supercomputer: GPU-acceleration, Scalability and Parallel I/O. - Nikolay Kondratyuk; Grigory S. Smirnov; Vladimir V. Stegailov (RuSCDays, 2018)

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)

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)