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Comment on "Pushing the frontiers of density functionals by solving the fractional electron problem".
Science. 2022 Aug 5;377(6606):eabq3385. doi: 10.1126/science.abq3385. Epub 2022 Aug 5.
Science. 2022.
PMID: 35926034
Neural network interpolation of exchange-correlation functional.
Ryabov A, Akhatov I, Zhilyaev P.
Ryabov A, et al.
Sci Rep. 2020 May 14;10(1):8000. doi: 10.1038/s41598-020-64619-8.
Sci Rep. 2020.
PMID: 32409657
Free PMC article.
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Application of two-component neural network for exchange-correlation functional interpolation.
Ryabov A, Akhatov I, Zhilyaev P.
Ryabov A, et al.
Sci Rep. 2022 Aug 19;12(1):14133. doi: 10.1038/s41598-022-18083-1.
Sci Rep. 2022.
PMID: 35986067
Free PMC article.
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nablaDFT: Large-Scale Conformational Energy and Hamiltonian Prediction benchmark and dataset.
Khrabrov K, Shenbin I, Ryabov A, Tsypin A, Telepov A, Alekseev A, Grishin A, Strashnov P, Zhilyaev P, Nikolenko S, Kadurin A.
Khrabrov K, et al.
Phys Chem Chem Phys. 2022 Nov 2;24(42):25853-25863. doi: 10.1039/d2cp03966d.
Phys Chem Chem Phys. 2022.
PMID: 36279016
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Process Parameter Selection for Production of Stainless Steel 316L Using Efficient Multi-Objective Bayesian Optimization Algorithm.
Chepiga T, Zhilyaev P, Ryabov A, Simonov AP, Dubinin ON, Firsov DG, Kuzminova YO, Evlashin SA.
Chepiga T, et al.
Materials (Basel). 2023 Jan 25;16(3):1050. doi: 10.3390/ma16031050.
Materials (Basel). 2023.
PMID: 36770057
Free PMC article.
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