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Drautz, Ralf
182  results:
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1

Enabling true atomic-scale analytical imaging, application ..:

Ferraz Morgado de Oliveira, Felipe , 2024
Link: https://nbn-resolving.de..
 
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2

Structural transformations driven by local disorder at inte..:

Liang, Yanyan ; Leines, Grisell Díaz ; Drautz, Ralf.
Physical Review Materials.  8 (2024)  3 - p. , 2024
Link: https://doi.org/10.1103/..
 
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3

Graph Atomic Cluster Expansion for Semilocal Interactions b..:

Bochkarev, Anton ; Lysogorskiy, Yury ; Drautz, Ralf
Physical Review X.  14 (2024)  2 - p. , 2024
Link: https://doi.org/10.1103/..
 
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4

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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5

Parametrization protocol and refinement strategies for accu..:

Subramanyam, Aparna P. A. ; Jenke, Jan ; Ladines, Alvin N...
Physical Review Materials.  8 (2024)  1 - p. , 2024
Link: https://doi.org/10.1103/..
 
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6

Large-scale atomistic simulation of diffusion in refractory..:

Starikov, Sergei ; Grigorev, Petr ; Drautz, Ralf.
Physical Review Materials.  8 (2024)  4 - p. , 2024
Link: https://doi.org/10.1103/..
 
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7

Atomistic modelling of defects in transition metal alloys:

Puchakayala Appaiah Subramanyam, Aparna , 2023
Link: https://nbn-resolving.de..
 
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8

Atomistic transformations during nucleation and interface m..:

Liang, YanYan , 2023
Link: https://nbn-resolving.de..
 
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9

Modelling magnetism from the electronic structure to contin..:

Rinaldi, Matteo , 2023
Link: https://nbn-resolving.de..
 
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10

Atomistic simulations of hydrogen interactions with crystal..:

Pradhan, Tapaswani , 2023
Link: https://nbn-resolving.de..
 
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11

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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12

A Unifying Perspective of Common Motifs That Occur across D..:

Grünebohm, Anna ; Hütten, Andreas ; Böhmer, Anna E....
Advanced Energy Materials.  13 (2023)  30 - p. , 2023
Link: https://doi.org/10.1002/..
 
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13

Magnetic bond-order potential for iron-cobalt alloys:

Egorov, Aleksei ; Subramanyam, Aparna P. A. ; Yuan, Ziyi..
Physical Review Materials.  7 (2023)  4 - p. , 2023
Link: https://doi.org/10.1103/..
 
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14

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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15

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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