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J

Jörg Neugebauer

Max-Planck-Institut für nachhaltige Materialien GmbH

99H-index
1.3KPaper Count
4.5WCitation Count
Published Papers 286
Publication Date
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Toward Full Interoperability in Materials Science: Integrating Workflows With Knowledge Graphs
errAdvanced Engineering Materials
IF3.3
err2026-09-29
err0
errOAAI
errJan Janssen; Osamu Waseda; Bernd Bayerlein; Simon Stier; Steffen Brinckmann; Abril Azócar Guzmán; Sarath Menon; Matthias A. Popp; Jesper R. Pedersen; Ivano E. Castelli; Jörg Waitelonis; Wolfgang Wenzel; Jörg Neugebauer; Jörg Schaarschmidt; Tilmann Hickel
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Publisher Correction: Atomistic simulations of high-entropy alloys: from density functional theory to machine-learning interatomic potentials
errJournal of Materials Science
IF3.9
err2026-09-08
err0
errOAAI
errYuji Ikeda; Xiang Xu; Pranav Kumar; Jörg Neugebauer; Li-Fang Zhu; Xi Zhang; Fritz Körmann; Blazej Grabowski
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errSave
Atomistic simulations of high-entropy alloys: from density functional theory to machine-learning interatomic potentials
errJournal of Materials Science
IF3.9
err2026-08-29
err0
errOAAI
errYuji Ikeda; Xiang Xu; Pranav Kumar; Jörg Neugebauer; Li-Fang Zhu; Xi Zhang; Fritz Körmann; Blazej Grabowski
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errSave
Development and Applications of a Magnetism-Aware General-Purpose Atomic Cluster Expansion Potential for the Fe-O-H Ternary System
errAdvanced Science
IF14.1
err2026-07-28
err0
errOAAI
errBaptiste Bienvenu; Mira Todorova; Jörg Neugebauer; Dierk Raabe; Matous Mrovec; Ralf Drautz
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errSave
Triple Junctions as Dislocation-Like Defects: The Role of Grain Boundary Crystallography Revealed by Experiment and Atomistic Simulation
errAdvanced Engineering Materials
IF3.3
err2026-06-20
err0
errOAAI
errTobias Brink; Saba Saood; Peter Schweizer; Jörg Neugebauer; Gerhard Dehm
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errSave
A Lightweight Procedural Layer for Hybrid Experimental–Computational Workflows in Materials Science
errAdvanced Engineering Materials
IF3.3
err2026-04-04
err0
errOAAI
errSteffen Brinckmann; Sarath Menon; Raphael Röske; Johannes Steinhülb; Michael Selzer; Jan Janssen; Tilmann Hickel; Ruth Schwaiger; Jörg Neugebauer
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Microstructural origin of the simultaneous enhancements in strength and ductility of a nitrogen-doped high-entropy alloy
errActa Materialia
IF9.3
err2025-11-23
err0
PREAI
errXiaoxiang Wu; Zhujun Sun; Wenqi Guo; Chang Liu; Yong-Qiang Yan; Yan-Ning Zhang; Yuji Ikeda; Fritz Körmann; Jörg Neugebauer; Zhiming Li; Baptiste Gault; Ge Wu
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A high-throughput ab initio study of elemental segregation and cohesion at ferritic-iron grain boundaries
errActa Materialia
IF9.3
err2025-07-18
err0
errOAAI
errHan Lin Mai; Xiang-Yuan Cui; Tilmann Hickel; Jörg Neugebauer; Simon P. Ringer
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errSave
Temperature and misorientation-dependent austenite nucleation at ferrite grain boundaries in a medium manganese steel: role of misorientation-dependent grain boundary segregation
errActa Materialia
IF9.3
err2025-06-10
err0
errOAAI
errRama Srinivas Varanasi; Osamu Waseda; Faisal Waqar Syed; Prithiv Thoudden-Sukumar; Baptiste Gault; Jörg Neugebauer; Dirk Ponge
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Hydrogen accommodation and its role in lattice symmetry in a TiNbZr medium-entropy alloy
errACTA MATERIALIA
IF9.3
err2025-04-01
err0
PREAI
errWu, Chengguang; Gong, Yilun; Liu, Chang; Li, Xuehan; Gizer, Goekhan; Pistidda, Claudio; Koermann, Fritz; Ma, Yan; Neugebauer, Joerg; Raabe, Dierk
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errSave
Development of an atomic cluster expansion potential for iron and its oxides
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2025-03-26
err0
errOAAI
errBienvenu, Baptiste; Todorova, Mira; Neugebauer, Joerg; Mrovec, Matous; Lysogorskiy, Yury; Drautz, Ralf
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errSave
Statistical phase evaluation approach for defect phase diagrams
errPHYSICAL REVIEW B
IF3.7
err2025-02-27
err0
errOAAI
errYang, Jing; Abdelkawy, Ahmed; Todorova, Mira; Neugebauer, Joerg
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errSave
Chemical ordering and magnetism in face-centered cubic CrCoNi alloy
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2024-12-19
err0
errOAAI
errGhosh, Sheuly; Ueltzen, Katharina; George, Janine; Neugebauer, Joerg; Koermann, Fritz
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errSave
Concepts for a Semantically Accessible Materials Data Space: Overview over Specific Implementations in Materials Science
errADVANCED ENGINEERING MATERIALS
IF3.3
err2024-12-18
err0
errOAAI
errBayerlein, Bernd; Waitelonis, Joerg; Birkholz, Henk; Jung, Matthias; Schilling, Markus; Hartrott, Philipp V.; Bruns, Marian; Schaarschmidt, Joerg; Beilke, Kristian; Mutz, Marcel; Nebel, Vincent; Koeniger, Veit; Beran, Lisa; Kraus, Tobias; Vyas, Akhilesh; Vogt, Lars; Blum, Moritz; Ell, Basil; Chen, Ya-Fan; Waurischk, Tina; Thomas, Akhil; Durmaz, Ali Riza; Ben Hassine, Sahar; Fresemann, Carina; Dziwis, Gordian; Nasrabadi, Hossein Beygi; Hanke, Thomas; Telong, Melissa; Pirskawetz, Stephan; Kamal, Mohamed; Bjarsch, Thomas; Paehler, Ursula; Hofmann, Peter; Leemhuis, Mena; Oezcep, oezguer L.; Meyer, Lars-Peter; Skrotzki, Birgit; Neugebauer, Joerg; Wenzel, Wolfgang; Sack, Harald; Eberl, Chris; Portella, Pedro Dolabella; Hickel, Tilmann; Maedler, Lutz; Gumbsch, Peter
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From electrons to phase diagrams with machine learning potentials using pyiron based automated workflows
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2024-11-17
err1
errOAAI
errMenon, Sarath; Lysogorskiy, Yury; Knoll, Alexander L. M.; Leimeroth, Niklas; Poul, Marvin; Qamar, Minaam; Janssen, Jan; Mrovec, Matous; Rohrer, Jochen; Albe, Karsten; Behler, Joerg; Drautz, Ralf; Neugebauer, Joerg
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errSave
Revealing the Reaction Pathway of Anodic Hydrogen Evolution at Magnesium Surfaces in Aqueous Electrolytes
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2024-10-25
err0
errOAAI
errDeissenbeck, Florian; Surendralal, Sudarsan; Todorova, Mira; Wippermann, Stefan; Neugebauer, Joerg
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errSave
Towards the holistic design of alloys with large language models
errNATURE REVIEWS MATERIALS
IF86.2
err2024-09-12
err0
PREAI
errPei, Zongrui; Yin, Junqi; Neugebauer, Joerg; Jain, Anubhav
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errSave
Metastable defect phase diagrams as roadmap to tailor chemically driven defect formation
errACTA MATERIALIA
IF9.3
err2024-09-01
err0
errOAAI
errTehranchi, A.; Zhang, S.; Zendegani, A.; Scheu, C.; Hickel, T.; Neugebauer, J.
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errSave
Machine Learning-Enabled Tomographic Imaging of Chemical Short-Range Atomic Ordering
errADVANCED MATERIALS
IF26.8
err2024-08-12
err1
errOAAI
errLi, Yue; Colnaghi, Timoteo; Gong, Yilun; Zhang, Huaide; Yu, Yuan; Wei, Ye; Gan, Bin; Song, Min; Marek, Andreas; Rampp, Markus; Zhang, Siyuan; Pei, Zongrui; Wuttig, Matthias; Ghosh, Sheuly; Koermann, Fritz; Neugebauer, Joerg; Wang, Zhangwei; Gault, Baptiste
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Quasi-In Situ Analysis of the Reactive Liquid-Solid Interface during Magnesium Corrosion Using Cryo-Atom Probe Tomography
errADVANCED MATERIALS
IF26.8
err2024-06-07
err1
errOAAI
errSchwarz, Tim M.; Yang, Jing; Aota, Leonardo S.; Woods, Eric; Zhou, Xuyang; Neugebauer, Joerg; Todorova, Mira; McCarroll, Ingrid; Gault, Baptiste
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Research Directions

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Co-authors
Cooperation Journals
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Dierk Raabe
H-index: 178 · Papers: 2.3K
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陈龙清 (Long‐Qing Chen)
H-index: 144 · Papers: 1.6K
M
Matthias Scheffler
H-index: 133 · Papers: 1.0K
S
Su‐Huai Wei
H-index: 132 · Papers: 934
C
Chris G. Van de Walle
H-index: 123 · Papers: 771
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