E-LIB Suche - Ergebnisse für: Shapeev, Alexander

1

A moment tensor potential for lattice thermal conductivity ..:

Rybin, Nikita ; Shapeev, Alexander
Journal of Applied Physics. 135 (2024) 20 - p. , 2024

Link: https://doi.org/10.1063/..

2

Thermophysical properties of Molten FLiNaK: A moment tensor..:

Rybin, Nikita ; Maksimov, Dmitrii ; Zaikov, Yuriy.
Journal of Molecular Liquids. 410 (2024) - p. 125402 , 2024

Link: https://doi.org/10.1016/..

3

Electronic Moment Tensor Potentials include both electronic..:

Srinivasan, Prashanth ; Demuriya, David ; Grabowski, Blazej.
npj Computational Materials. 10 (2024) 1 - p. , 2024

Link: https://doi.org/10.1038/..

4

MLIP-3: Active learning on atomic environments with moment ..:

Podryabinkin, Evgeny ; Garifullin, Kamil ; Shapeev, Alexander.
The Journal of Chemical Physics. 159 (2023) 8 - p. , 2023

Link: https://doi.org/10.1063/..

5

Magnetic Moment Tensor Potentials for collinear spin-polari..:

Novikov, Ivan ; Grabowski, Blazej ; Körmann, Fritz.
npj Computational Materials. 8 (2022) 1 - p. , 2022

Link: https://doi.org/10.1038/..

6

Machine learning for deep elastic strain engineering of sem..:

Tsymbalov, Evgenii ; Shi, Zhe ; Dao, Ming...
npj Computational Materials. 7 (2021) 1 - p. , 2021

Link: https://doi.org/10.1038/..

7

B2 ordering in body-centered-cubic AlNbTiV refractory high-..:

Körmann, Fritz ; Kostiuchenko, Tatiana ; Shapeev, Alexander.
Physical Review Materials. 5 (2021) 5 - p. , 2021

Link: https://doi.org/10.1103/..

8

Modeling the high-temperature phase coexistence region of m..:

Wallace, Suzanne K. ; van Roekeghem, Ambroise ; Bochkarev, Anton S....
Physical Review Research. 3 (2021) 1 - p. , 2021

Link: https://doi.org/10.1103/..

9

Free energy of (CoxMn1−x)3O4 mixed phases from machine-lear..:

Wallace, Suzanne K. ; Bochkarev, Anton S. ; van Roekeghem, Ambroise...
Physical Review Materials. 5 (2021) 3 - p. , 2021

Link: https://doi.org/10.1103/..

10

Metallization of diamond:

Shi, Zhe ; Dao, Ming ; Tsymbalov, Evgenii...
Proceedings of the National Academy of Sciences. 117 (2020) 40 - p. 24634-24639 , 2020

Link: https://doi.org/10.1073/..

11

Metallization of diamond:

Shi, Zhe ; Dao, Ming ; Tsymbalov, Evgenii...
Proceedings of the National Academy of Sciences of the United States of America. 117 (2020) 40 - p. 24634-24639 , 2020

Link: https://www.jstor.org/st..

12

Short-range order in face-centered cubic VCoNi alloys:

Kostiuchenko, Tatiana ; Ruban, Andrei V. ; Neugebauer, Jörg..
Physical Review Materials. 4 (2020) 11 - p. , 2020

Link: https://doi.org/10.1103/..

13

Predicting the propensity for thermally activated β events ..:

Wang, Qi ; Ding, Jun ; Zhang, Longfei...
npj Computational Materials. 6 (2020) 1 - p. , 2020

Link: https://doi.org/10.1038/..

14

Active Learning and Uncertainty Estimation:

, In: Machine Learning Meets Quantum Physics; Lecture Notes in Physics,

Shapeev, Alexander ; Gubaev, Konstantin ; Tsymbalov, Evgenii. - p. 309-329 , 2020

Link: https://doi.org/10.1007/..

15

Ab initio vibrational free energies including anharmonicity..:

Grabowski, Blazej ; Ikeda, Yuji ; Srinivasan, Prashanth...
npj Computational Materials. 5 (2019) 1 - p. , 2019

Link: https://doi.org/10.1038/..