Journal Article (25)

21.
Journal Article
Bayerlein, B.; Waitelonis, J.; Birkholz, H.; Jung, M.; Schilling, M.; v. Hartrott, P.; Bruns, M.; Schaarschmidt, J.; Beilke, K.; Mutz, M. et al.; Nebel, V.; Königer, V.; Beran, L.; Kraus, T.; Vyas, A.; Vogt, L.; Blum, M.; Ell, B.; Chen, Y.-F.; Waurischk, T.; Thomas, A.; Durmaz, A.; Hassine, S.; Fresemann, C.; Dziwis, G.; Nasrabadi, H. B.; Hanke, T.; Telong, M.; Pirskawetz, S.; Kamal, M.; Bjarsch, T.; Pähler, U.; Hofmann, P.; Leemhuis, M.; Özçep, Ö. L.; Meyer, L.-P.; Skrotzki, B.; Neugebauer, J.; Wenzel, W.; Sack, H.; Eberl, C.; Portella, P. D.; Hickel, T.; Mädler, L.; Gumbsch, P.: Concepts for a Semantically Accessible Materials Data Space: Overview over Specific Implementations in Materials Science. Advanced Engineering Materials 27 (8), 2570025 (2025)
22.
Journal Article
Janßen, J.; Taylor, M.; Yang, P.; Neugebauer, J.; Perez, D.: Executorlib – Up-scaling Python workflows for hierarchical heterogenous high-performance computing. The Journal of Open Source Software (JOSS) 10 (108), 7782 (2025)
23.
Journal Article
Calderón, L. A. Á.; Shakeel, Y.; Gedsun, A.; Forti, M.; Hunke, S.; Han, Y.; Hammerschmidt, T.; Aversa, R.; Olbricht, J.; Chmielowski, M. et al.; Stotzka, R.; Bitzek, E.; Hickel, T.; Skrotzki, B.: Management of reference data in materials science and engineering exemplified for creep data of a singlecrystalline Nibased superalloy. Acta Materialia 286, 120735 (2025)
24.
Journal Article
Geng, X.; Lu, X.; Wang, Z.; Gault, B.: Rational Grain Boundary Segregation Enables Long-Term Thermally Stable, Catalytically Active, and CO-Tolerant Nanograined Metals. Advanced Science, e12730 (2025)
25.
Journal Article
Zimmermann, Y.; Bazgir, A.; Al-Feghali, A.; Ansari, M.; Bocarsly, J.; Brinson, L. C.; Chiang, Y.; Circi, D.; Chiu, M.-H.; Daelman, N. et al.; Evans, M. L.; Gangan, A. S.; George, J.; Harb, H.; Khalighinejad, G.; Takrim Khan, S.; Klawohn, S.; Lederbauer, M.; Mahjoubi, S.; Mohr, B.; Mohamad Moosavi, S.; Naik, A.; Beste Ozhan, A.; Plessers, D.; Roy, A.; Schöppach, F.; Schwaller, P.; Terboven, C.; Ueltzen, K.; Wu, Y.; Zhu, S.; Janßen, J.; Li, C.; Foster, I.; Blaiszik, B.: 32 examples of LLM applications in materials science and chemistry: towards automation, assistants, agents, and accelerated scientific discovery. Machine Learning: Science and Technology 6 (3), 030701 (2025)

Talk (4)

26.
Talk
Freysoldt, C.: Correcting for electrostatic boundary artifacts in simulations of charged systems. Workshop „Boundary Conditions for Atomistic Simulations in Macroscopic Electrochemical Cells“, part of IPAM long term program „Bridging the Gap: Transitioning from Deterministic to Stochastic Interaction Modeling in Electrochemistry“, Los Angeles, CA, USA (2025)
27.
Talk
Schwarz, T.; Yang, J.; Shoji Aota, L.; Woods, E.; Zhou, X.; Neugebauer, J.; Todorova, M.; McCarroll, I.; Gault, B.: In-situ insights into interfacial processes at reactive liquid-solid interface during magnesium corrosion using cryo-atom probe tomography. EuroMat 2025 conference, Granada, Spain (2025)
28.
Talk
Schwarz, T.; Yang, J.; Shoji Aota, L.; Woods, E.; Zhou, X.; Neugebauer, J.; Todorova, M.; McCarroll, I.; Gault, B.: New insights into the reactive liquid-solid interface during magnesium corrosion using cryo-atom probe tomography. EUROCORR 2025 Annular Congress of the European Federation of Corrosion, Stavanger, Norway (2025)
29.
Talk
Waseda, O.; Hickel, T.; Neugebauer, J.: Dissecting physics of carbon ordering in bcc iron. Thermec 2025, Toulouse, France (2025)
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