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Scientific Reports
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May 16, 2020
Neural network interpolation of exchange-correlation functional
Alexander Ryabov, Iskander Akhatov, Petr Zhilyaev
Scientific Reports
|
August 19, 2022
Application of two-component neural network for exchange-correlation functional interpolation
Alexander Ryabov, Iskander Akhatov, Petr Zhilyaev
The Journal of Chemical Physics
|
August 15, 2025
On the practical applicability of DM21 neural-network DFT functional for chemical calculations: Focus on geometry optimization
Kirill Kulaev, Alexander Ryabov, Michael G Medvedev, et al.
Materials (Basel, Switzerland)
|
February 11, 2023
Process Parameter Selection for Production of Stainless Steel 316L Using Efficient Multi-Objective Bayesian Optimization Algorithm
Timur Chepiga, Petr Zhilyaev, Alexander Ryabov, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 24, 2022
nablaDFT: Large-Scale Conformational Energy and Hamiltonian Prediction benchmark and dataset
Kuzma Khrabrov, Ilya Shenbin, Alexander Ryabov, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 5) with videos related to
Sort By:
Page
of 1
Scientific Reports
|
May 16, 2020
Neural network interpolation of exchange-correlation functional
Alexander Ryabov, Iskander Akhatov, Petr Zhilyaev
Scientific Reports
|
August 19, 2022
Application of two-component neural network for exchange-correlation functional interpolation
Alexander Ryabov, Iskander Akhatov, Petr Zhilyaev
The Journal of Chemical Physics
|
August 15, 2025
On the practical applicability of DM21 neural-network DFT functional for chemical calculations: Focus on geometry optimization
Kirill Kulaev, Alexander Ryabov, Michael G Medvedev, et al.
Materials (Basel, Switzerland)
|
February 11, 2023
Process Parameter Selection for Production of Stainless Steel 316L Using Efficient Multi-Objective Bayesian Optimization Algorithm
Timur Chepiga, Petr Zhilyaev, Alexander Ryabov, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 24, 2022
nablaDFT: Large-Scale Conformational Energy and Hamiltonian Prediction benchmark and dataset
Kuzma Khrabrov, Ilya Shenbin, Alexander Ryabov, et al.
Page
of 1