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Gubaev, Konstantin
27  results:
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1

Moment tensor potential for static and dynamic investigatio..:

Zotov, Nikolay ; Gubaev, Konstantin ; Wörner, Julian.
Modelling and Simulation in Materials Science and Engineering.  32 (2024)  3 - p. 035032 , 2024
Link: https://doi.org/10.1088/..
 
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2

Performance of two complementary machine-learned potentials..:

Gubaev, Konstantin ; Zaverkin, Viktor ; Srinivasan, Prashanth...
npj Computational Materials.  9 (2023)  1 - p. , 2023
Link: https://doi.org/10.1038/..
 
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3

Constrained DFT-based magnetic machine-learning potentials ..:

Kotykhov, Alexey S. ; Gubaev, Konstantin ; Hodapp, Max...
Scientific Reports.  13 (2023)  1 - p. , 2023
Link: https://doi.org/10.1038/..
 
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4

Finite-temperature interplay of structural stability, chemi..:

Gubaev, Konstantin ; Ikeda, Yuji ; Tasnádi, Ferenc...
Physical Review Materials.  5 (2021)  7 - p. , 2021
Link: https://doi.org/10.1103/..
 
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5

Machine-learned interatomic potentials for alloys and alloy..:

Rosenbrock, Conrad W. ; Gubaev, Konstantin ; Shapeev, Alexander V....
npj Computational Materials.  7 (2021)  1 - p. , 2021
Link: https://doi.org/10.1038/..
 
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6

The MLIP package: moment tensor potentials with MPI and act..:

Novikov, Ivan S ; Gubaev, Konstantin ; Podryabinkin, Evgeny V.
Machine Learning: Science and Technology.  2 (2021)  2 - p. 025002 , 2021
Link: https://doi.org/10.1088/..
 
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7

Chemically induced local lattice distortions versus structu..:

Ikeda, Yuji ; Gubaev, Konstantin ; Neugebauer, Jörg..
npj Computational Materials.  7 (2021)  1 - p. , 2021
Link: https://doi.org/10.1038/..
 
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8

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/..
 
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9

Elinvar effect in β-Ti simulated by on-the-fly trained mome..:

Shapeev, Alexander V ; Podryabinkin, Evgeny V ; Gubaev, Konstantin..
New Journal of Physics.  22 (2020)  11 - p. 113005 , 2020
Link: https://doi.org/10.1088/..
 
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10

Frontiers in atomistic simulations of high entropy alloys:

Ferrari, Alberto ; Dutta, Biswanath ; Gubaev, Konstantin...
Journal of Applied Physics.  128 (2020)  15 - p. , 2020
Link: https://doi.org/10.1063/..
 
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11

Accelerating high-throughput searches for new alloys with a..:

Gubaev, Konstantin ; Podryabinkin, Evgeny V. ; Hart, Gus L.W..
Computational Materials Science.  156 (2019)  - p. 148-156 , 2019
Link: https://doi.org/10.1016/..
 
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12

Machine learning of molecular properties: Locality and acti..:

Gubaev, Konstantin ; Podryabinkin, Evgeny V. ; Shapeev, Alexander V.
The Journal of Chemical Physics.  148 (2018)  24 - p. , 2018
Link: https://doi.org/10.1063/..
 
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13

Performance of two complementary machine-learned potentials..:

Gubaev, Konstantin ; Zaverkin, Viktor ; Srinivasan, Prashanth...
info:eu-repo/grantAgreement/EC/H2020/865855.  , 2023
Link: https://doi.org/10.18419..
 
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14

Constrained DFT-based magnetic machine-learning potentials ..:

Tantardini, Christian ; Kotykhov, Alexey S ; Gubaev, Konstantin...
Scientific Reports.  , 2023
Link: https://hdl.handle.net/1..
 
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15

Finite-temperature interplay of structural stability, chemi..:

Gubaev, Konstantin ; Ikeda, Yuji ; Tasnádi, Ferenc...
info:eu-repo/grantAgreement/EC/H2020/865855.  , 2021
Link: https://doi.org/10.18419..
 
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