Кандидат физ.-мат. наук, снс
Публикации за последние 5 лет:
- Deshchenya V. I., Kondratyuk N. D., Lankin A. V., Norman G. E. Modeling of Transport Properties of Aqueous Sucrose Solutions by the Molecular Dynamics Method. //Russian Journal of Physical Chemistry A. – 2022. – Т. 96. – №. 3. – С. 556-563.
- Bakulin I., Kondratyuk N., Lankin A., Norman G. Properties of aqueous 1,4-dioxane solution via molecular dynamics. //Journal of Chemical Physics. – 2021. – Т. 155. – №. 15. – С. .
- Kondratyuk Nikolay D., Pisarev Vasily V. Predicting shear viscosity of 1,1-diphenylethane at high pressures by molecular dynamics methods. //Fluid Phase Equilibria. – 2021. – Т. 544-545. – №. . – С. .
- Imoro Nfayem, Shilovskikh Vladimir V., Nesterov Pavel V., Timralieva Alexandra A., Gets Dmitry, Nebalueva Anna, Lavrentev Filipp V., Novikov Alexander S., Kondratyuk Nikolay D., Orekhov Nikita D., Skorb Ekaterina V. Biocompatible pH-Degradable Functional Capsules Based on Melamine Cyanurate Self-Assembly. //ACS Omega. – 2021. – Т. 6. – №. 27. – С. 17267-17275.
- Nesterov Pavel V., Shilovskikh Vladimir V., Sokolov Alexander D., Gurzhiy Vladislav V., Novikov Alexander S., Timralieva Alexandra A., Belogub Elena V., Kondratyuk Nikolay D., Orekhov Nikita D., Skorb Ekaterina V. Encapsulation of rhodamine 6G dye molecules for affecting symmetry of supramolecular crystals of Melamine-Barbiturate. //Symmetry. – 2021. – Т. 13. – №. 7. – С. .
- Kondratyuk Nikolay, Nikolskiy Vsevolod, Pavlov Daniil, Stegailov Vladimir GPU-accelerated molecular dynamics: State-of-art software performance and porting from Nvidia CUDA to AMD HIP. //International Journal of High Performance Computing Applications. – 2021. – Т. 35. – №. 4. – С. 312-324.
- Orekhov Nikita, Kondratyuk Nikolay, Logunov Mikhail, Timralieva Alexandra, Shilovskikh Vladimir, Skorb Ekaterina V. Insights into the Early Stages of Melamine Cyanurate Nucleation from Aqueous Solution. //Crystal Growth and Design. – 2021. – Т. 21. – №. 4. – С. 1984-1992.
- Bakulin I. K., Kondratyuk N. D., Lankin A. V., Norman G. E. Molecular dynamics simulation of ion binding in aqueous solution of 18-crown-6 ether. //Journal of Physics: Conference Series. – 2021. – Т. 1787. – №. 1. – С. .
- Kondratyuk Nikolay D., Pisarev Vasily V., Ewen James P. Probing the high-pressure viscosity of hydrocarbon mixtures using molecular dynamics simulations. //Journal of Chemical Physics. – 2020. – Т. 153. – №. 15. – С. .
- Kondratyuk N. D., Orekhov M. A. Shear viscosity of n-pentane from diffusivity based molecular dynamics methods. //Journal of Physics: Conference Series. – 2020. – Т. 1556. – №. 1. – С. .
- Kondratyuk N., Lenev D., Pisarev V. Transport coefficients of model lubricants up to 400 MPa from molecular dynamics. //Journal of Chemical Physics. – 2020. – Т. 152. – №. 19. – С. .
- Kuznetsov Evgeny, Kondratyuk Nikolay, Logunov Mikhail, Nikolskiy Vsevolod, Stegailov Vladimir Performance and portability of state-of-art molecular dynamics software on modern GPUs. //Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics). – 2020. – Т. 12043 LNCS. – №. . – С. 324-334.
- Pisarev Vasily, Kondratyuk Nikolay Prediction of viscosity-density dependence of liquid methane+n-butane+n-pentane mixtures using the molecular dynamics method and empirical correlations. //Fluid Phase Equilibria. – 2019. – Т. 501. – №. . – С. .
- Kondratyuk N. D. Comparing different force fields by viscosity prediction for branched alkane at 0.1 and 400 MPa. //Journal of Physics: Conference Series. – 2019. – Т. 1385. – №. 1. – С. .
- Kondratyuk Nikolay D., Pisarev Vasily V. Calculation of viscosities of branched alkanes from 0.1 to 1000 MPa by molecular dynamics methods using COMPASS force field. //Fluid Phase Equilibria. – 2019. – Т. 498. – №. . – С. 151-159.
- Kondratyuk N. Contributions of force field interaction forms to Green-Kubo viscosity integral in n -alkane case. //Journal of Chemical Physics. – 2019. – Т. 151. – №. 7. – С. .
- Stegailov Vladimir, Dlinnova Ekaterina, Ismagilov Timur, Khalilov Mikhail, Kondratyuk Nikolay, Makagon Dmitry, Semenov Alexander, Simonov Alexei, Smirnov Grigory, Timofeev Alexey Angara interconnect makes GPU-based Desmos supercomputer an efficient tool for molecular dynamics calculations. //International Journal of High Performance Computing Applications. – 2019. – Т. 33. – №. 3. – С. 507-521.
- Kondratyuk Nikolay, Smirnov Grigory, Agarkov Alexander, Osokin Anton, Nikolskiy Vsevolod, Semenov Alexander, Stegailov Vladimir Performance and Scalability of Materials Science and Machine Learning Codes on the State-of-Art Hybrid Supercomputer Architecture. //Communications in Computer and Information Science. – 2019. – Т. 1129 CCIS. – №. . – С. 597-609.
- Kondratyuk Nikolay, Smirnov Grigory, Stegailov Vladimir Hybrid codes for atomistic simulations on the desmos supercomputer: GPU-acceleration, scalability and parallel I/O. //Communications in Computer and Information Science. – 2019. – Т. 965. – №. . – С. 218-229.
