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Ertekin, Elif
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1

First-principles and cluster expansion study of the effect ..:

Su, Tianyu ; Blankenau, Brian J. ; Kim, Namhoon..
Acta Materialia.  276 (2024)  - p. 120088 , 2024
Link: https://doi.org/10.1016/..
 
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2

JARVIS-Leaderboard: a large scale benchmark of materials de..:

Choudhary, Kamal ; Wines, Daniel ; Li, Kangming...
npj Computational Materials.  10 (2024)  1 - p. , 2024
Link: https://doi.org/10.1038/..
 
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3

Investigation of Ga interstitial and vacancy diffusion in β..:

Lee, Channyung ; Scarpulla, Michael A. ; Ertekin, Elif
Physical Review Materials.  8 (2024)  5 - p. , 2024
Link: https://doi.org/10.1103/..
 
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4

Patternable Process-Induced Strain in 2D Monolayers and Het..:

Zhang, Yue ; Hossain, M. Abir ; Hwang, Kelly J....
ACS Nano.  18 (2024)  5 - p. 4205-4215 , 2024
Link: https://doi.org/10.1021/..
 
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5

Alloying-Induced Structural Transition in the Promising The..:

Shawon, A. K. M. Ashiquzzaman ; Guetari, Weeam ; Ciesielski, Kamil...
Chemistry of Materials.  36 (2024)  4 - p. 1908-1918 , 2024
Link: https://doi.org/10.1021/..
 
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6

Configurational Disorder, Strong Anharmonicity, and Coupled..:

Ahammed, Ballal ; Ertekin, Elif
Advanced Materials.  36 (2024)  16 - p. , 2024
Link: https://doi.org/10.1002/..
 
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7

Leveraging language representation for materials exploratio..:

Qu, Jiaxing ; Xie, Yuxuan Richard ; Ciesielski, Kamil M....
npj Computational Materials.  10 (2024)  1 - p. , 2024
Link: https://doi.org/10.1038/..
 
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8

Investigating Data Reusability in Density Functional Theory..:

, In: 2023 IEEE International Conference on Big Data (BigData),
Fleur, Rob ; Ireland, Addy ; Zhao, Xintong... - p. 6143-6144 , 2023
Link: https://doi.org/10.1109/..
 
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9

Designing for dopability in semiconducting AgInTe2:

Meschke, Vanessa ; Gomes, Lídia Carvalho ; Adamczyk, Jesse M....
Journal of Materials Chemistry C.  11 (2023)  11 - p. 3832-3840 , 2023
Link: https://doi.org/10.1039/..
 
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10

VTAnDeM: A python toolkit for simultaneously visualizing ph..:

Toriyama, Michael Y. ; Qu, Jiaxing ; Gomes, Lídia C..
Computer Physics Communications.  287 (2023)  - p. 108691 , 2023
Link: https://doi.org/10.1016/..
 
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11

Extrinsic doping of Hg2GeTe4 in the face of defect compensa..:

Porter, Claire E. ; Qu, Jiaxing ; Cielsielski, Kamil..
Journal of Materials Chemistry C.  11 (2023)  26 - p. 8838-8849 , 2023
Link: https://doi.org/10.1039/..
 
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12

Shear-coupling of graphene grain boundaries: Elementary mec..:

Annevelink, Emil ; Xu, Brian ; Johnson, Harley T..
Acta Materialia.  244 (2023)  - p. 118488 , 2023
Link: https://doi.org/10.1016/..
 
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13

Coordination flexibility as a high-throughput descriptor fo..:

Lin, Yu-Ying ; Qu, Jiaxing ; Gustafson, William J....
Journal of Power Sources.  553 (2023)  - p. 232251 , 2023
Link: https://doi.org/10.1016/..
 
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14

Strong Scattering from Low-Frequency Rattling Modes Results..:

Ciesielski, Kamil M. ; Ortiz, Brenden R. ; Gomes, Lidia C....
Chemistry of Materials.  , 2023
Link: https://doi.org/10.1021/..
 
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15

Helical dislocation in twisted bilayer graphene:

Rakib, Tawfiqur ; Pochet, Pascal ; Ertekin, Elif.
Extreme Mechanics Letters.  63 (2023)  - p. 102053 , 2023
Link: https://doi.org/10.1016/..
 
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