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Neugebauer, Jörg
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1

Understanding atom probe's analytical performance for iron ..:

Kim, Se-Ho ; Bhatt, Shalini ; Schreiber, Daniel K...
New Journal of Physics.  26 (2024)  3 - p. 033021 , 2024
Link: https://doi.org/10.1088/..
 
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2

Melting properties of the refractory metals V and W and the..:

Zhu, Li-Fang ; Srinivasan, Prashanth ; Gong, Yilun...
Physical Review B.  109 (2024)  9 - p. , 2024
Link: https://doi.org/10.1103/..
 
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3

Sampling-free computation of finite temperature material pr..:

Dsouza, Raynol ; Poul, Marvin ; Huber, Liam..
Physical Review B.  109 (2024)  6 - p. , 2024
Link: https://doi.org/10.1103/..
 
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4

Comparative analysis of surface phase diagrams in aqueous e..:

Yang, Jing ; Todorova, Mira ; Neugebauer, Jörg
The Journal of Chemical Physics.  160 (2024)  16 - p. , 2024
Link: https://doi.org/10.1063/..
 
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5

Quasi‐"In Situ" Analysis of the Reactive Liquid‐Solid Inter..:

Schwarz, Tim M. ; Yang, Jing ; Aota, Leonardo S....
Advanced Materials.  , 2024
Link: https://doi.org/10.1002/..
 
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6

Laterally Resolved Free Energy Profiles and Vibrational Spe..:

Surendralal, Sudarsan ; Todorova, Mira ; Neugebauer, Jörg
Journal of Chemical Theory and Computation.  20 (2024)  5 - p. 2192-2201 , 2024
Link: https://doi.org/10.1021/..
 
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7

Ab initio vacancy formation energies and kinetics at metal ..:

Katnagallu, Shyam ; Freysoldt, Christoph ; Gault, Baptiste.
Physical Review B.  107 (2023)  4 - p. , 2023
Link: https://doi.org/10.1103/..
 
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8

A Machine Learning Framework for Quantifying Chemical Segre..:

Saxena, Alaukik ; Polin, Nikita ; Kusampudi, Navyanth...
Microscopy and Microanalysis.  29 (2023)  5 - p. 1658-1670 , 2023
Link: https://doi.org/10.1093/..
 
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9

Tailoring negative pressure by crystal defects: Microcrack ..:

Tehranchi, Ali ; Chakraborty, Poulami ; López Freixes, Martí...
Physical Review Materials.  7 (2023)  10 - p. , 2023
Link: https://doi.org/10.1103/..
 
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10

Simulating short-range order in compositionally complex mat..:

Ferrari, Alberto ; Körmann, Fritz ; Asta, Mark.
Nature Computational Science.  3 (2023)  3 - p. 221-229 , 2023
Link: https://doi.org/10.1038/..
 
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11

Accelerating the design of compositionally complex material..:

Raabe, Dierk ; Mianroodi, Jaber Rezaei ; Neugebauer, Jörg
Nature Computational Science.  3 (2023)  3 - p. 198-209 , 2023
Link: https://doi.org/10.1038/..
 
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12

Role of Simulations and Experiments in Analytical Field Ion..:

Morgado, Felipe F ; Bhatt, Shalini ; Stephenson, Leigh...
Microscopy and Microanalysis.  29 (2023)  Supplement_1 - p. 602-602 , 2023
Link: https://doi.org/10.1093/..
 
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13

Construction and analysis of surface phase diagrams to desc..:

Yang, Jing ; Kumar, K. B. Sravan ; Todorova, Mira.
Physical Review Materials.  7 (2023)  9 - p. , 2023
Link: https://doi.org/10.1103/..
 
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14

Quantification of electronic and magnetoelastic mechanisms ..:

Mendive Tapia, Eduardo ; Patrick, Christopher E ; Hickel, Tilmann..
Journal of Physics: Energy.  5 (2023)  3 - p. 034004 , 2023
Link: https://doi.org/10.1088/..
 
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15

Quantitative three-dimensional imaging of chemical short-ra..:

Li, Yue ; Wei, Ye ; Wang, Zhangwei...
Nature Communications.  14 (2023)  1 - p. , 2023
Link: https://doi.org/10.1038/..
 
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