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Mrovec, Matous
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1

Non-collinear magnetic atomic cluster expansion for iron:

Rinaldi, Matteo ; Mrovec, Matous ; Bochkarev, Anton..
npj Computational Materials.  10 (2024)  1 - p. , 2024
Link: https://doi.org/10.1038/..
 
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2

Atomistic simulations of pipe diffusion in bcc transition m..:

Starikov, Sergei ; Jamebozorgi, Vahid ; Smirnova, Daria..
Acta Materialia.  260 (2023)  - p. 119294 , 2023
Link: https://doi.org/10.1016/..
 
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3

Active learning strategies for atomic cluster expansion mod..:

Lysogorskiy, Yury ; Bochkarev, Anton ; Mrovec, Matous.
Physical Review Materials.  7 (2023)  4 - p. , 2023
Link: https://doi.org/10.1103/..
 
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4

Atomic cluster expansion for a general-purpose interatomic ..:

Ibrahim, Eslam ; Lysogorskiy, Yury ; Mrovec, Matous.
Physical Review Materials.  7 (2023)  11 - p. , 2023
Link: https://doi.org/10.1103/..
 
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5

Atomic cluster expansion for Pt–Rh catalysts: From ab initi..:

Liang, Yanyan ; Mrovec, Matous ; Lysogorskiy, Yury...
Journal of Materials Research.  38 (2023)  24 - p. 5125-5135 , 2023
Link: https://doi.org/10.1557/..
 
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6

Descriptor for slip-induced crack blunting in refractory ce..:

Sangiovanni, Davide G. ; Kraych, Antoine ; Mrovec, Matous...
Physical Review Materials.  7 (2023)  10 - p. , 2023
Link: https://doi.org/10.1103/..
 
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7

Atomic Cluster Expansion for Quantum-Accurate Large-Scale S..:

Qamar, Minaam ; Mrovec, Matous ; Lysogorskiy, Yury..
Journal of Chemical Theory and Computation.  19 (2023)  15 - p. 5151-5167 , 2023
Link: https://doi.org/10.1021/..
 
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8

Efficient parametrization of the atomic cluster expansion:

Bochkarev, Anton ; Lysogorskiy, Yury ; Menon, Sarath...
Physical Review Materials.  6 (2022)  1 - p. , 2022
Link: https://doi.org/10.1103/..
 
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9

Angular-dependent interatomic potential for large-scale ato..:

Starikov, Sergei ; Smirnova, Daria ; Pradhan, Tapaswani...
Physical Review Materials.  6 (2022)  4 - p. , 2022
Link: https://doi.org/10.1103/..
 
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10

Angular-dependent interatomic potential for large-scale ato..:

Starikov, Sergei ; Smirnova, Daria ; Pradhan, Tapaswani...
Physical Review Materials.  5 (2021)  6 - p. , 2021
Link: https://doi.org/10.1103/..
 
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11

Performant implementation of the atomic cluster expansion (..:

Lysogorskiy, Yury ; Oord, Cas van der ; Bochkarev, Anton...
npj Computational Materials.  7 (2021)  1 - p. , 2021
Link: https://doi.org/10.1038/..
 
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12

Theoretical investigation of the 70.5° mixed dislocations i..:

Romaner, Lorenz ; Pradhan, Tapaswani ; Kholtobina, Anastasiia..
Acta Materialia.  217 (2021)  - p. 117154 , 2021
Link: https://doi.org/10.1016/..
 
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13

Atomistic description of self-diffusion in molybdenum: A co..:

Smirnova, Daria ; Starikov, Sergei ; Leines, Grisell Díaz...
Physical Review Materials.  4 (2020)  1 - p. , 2020
Link: https://doi.org/10.1103/..
 
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14

Density functional theory calculations of iron - vanadium c..:

Echeverri Restrepo, Sebastián ; Di Stefano, Davide ; Mrovec, Matous.
International Journal of Hydrogen Energy.  45 (2020)  3 - p. 2382-2389 , 2020
Link: https://doi.org/10.1016/..
 
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15

Fast diffusion mechanism in Li4P2S6via a concerted process ..:

Stamminger, Andreas R. ; Ziebarth, Benedikt ; Mrovec, Matous..
RSC Advances.  10 (2020)  18 - p. 10715-10722 , 2020
Link: https://doi.org/10.1039/..
 
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