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Jörg Neugebauer

max planck institute for sustainable materials

99H-index
1.3KPaper Count
4.5WCitation Count
Published Papers 283
Publication Date
Development and Applications of a Magnetism-Aware General-Purpose Atomic Cluster Expansion Potential for the Fe-O-H Ternary System
err2026-07-28
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errBaptiste Bienvenu; Mira Todorova; Jörg Neugebauer; Dierk Raabe; Matous Mrovec; Ralf Drautz
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A Lightweight Procedural Layer for Hybrid Experimental–Computational Workflows in Materials Science
err2026-04-04
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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
err2025-11-23
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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
err2025-07-18
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errHan Lin Mai; Xiang-Yuan Cui; Tilmann Hickel; Jörg Neugebauer; Simon P. Ringer
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Temperature and misorientation-dependent austenite nucleation at ferrite grain boundaries in a medium manganese steel: role of misorientation-dependent grain boundary segregation
err2025-06-10
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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
err2025-04-01
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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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Development of an atomic cluster expansion potential for iron and its oxides
err2025-03-26
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errBienvenu, Baptiste; Todorova, Mira; Neugebauer, Joerg; Mrovec, Matous; Lysogorskiy, Yury; Drautz, Ralf
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Statistical phase evaluation approach for defect phase diagrams
err2025-02-27
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errYang, Jing; Abdelkawy, Ahmed; Todorova, Mira; Neugebauer, Joerg
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Chemical ordering and magnetism in face-centered cubic CrCoNi alloy
err2024-12-19
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errGhosh, Sheuly; Ueltzen, Katharina; George, Janine; Neugebauer, Joerg; Koermann, Fritz
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Concepts for a Semantically Accessible Materials Data Space: Overview over Specific Implementations in Materials Science
err2024-12-18
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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
err2024-11-17
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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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Revealing the Reaction Pathway of Anodic Hydrogen Evolution at Magnesium Surfaces in Aqueous Electrolytes
err2024-10-25
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errDeissenbeck, Florian; Surendralal, Sudarsan; Todorova, Mira; Wippermann, Stefan; Neugebauer, Joerg
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Towards the holistic design of alloys with large language models
err2024-09-12
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PREAI
errPei, Zongrui; Yin, Junqi; Neugebauer, Joerg; Jain, Anubhav
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Metastable defect phase diagrams as roadmap to tailor chemically driven defect formation
err2024-09-01
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errOAAI
errTehranchi, A.; Zhang, S.; Zendegani, A.; Scheu, C.; Hickel, T.; Neugebauer, J.
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Machine Learning-Enabled Tomographic Imaging of Chemical Short-Range Atomic Ordering
err2024-08-12
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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
err2024-06-07
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errSchwarz, Tim M.; Yang, Jing; Aota, Leonardo S.; Woods, Eric; Zhou, Xuyang; Neugebauer, Joerg; Todorova, Mira; McCarroll, Ingrid; Gault, Baptiste
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Effect of Sn on stacking fault energies in zirconium and its hydrides
err2024-03-18
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errChakraborty, P.; Mouton, I.; Gault, B.; Tehranchi, A.; Neugebauer, J.; Hickel, T.
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Melting properties of the refractory metals V and W and the binary VW alloy fully from first principles
err2024-03-15
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errOAAI
errZhu, Li -Fang; Srinivasan, Prashanth; Gong, Yilun; Hickel, Tilmann; Grabowski, Blazej; Koermann, Fritz; Neugebauer, Joerg
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