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Hamidi Siboni, N.: Effect of interstitials on vacancy formation and mobility in metals. Master, RWTH-Aachen, Aachen, Germany (2011)

Siboni, N. H.: Statistical and Quantum Mechanical Simulation of Interstitials in Metals - Mechanisms and Constraints for Superabundant Vacancy Formation. Master, RWTH Aachen, Institute for Computational Engineering Science, Aachen, Germany (2010)

Bubnik, V.: Visualization and Modeling of Molecules and Crystals. Master, Brno University of Technology, Brno, Czech Republic (2008)

Kim, O.: Ab-initio study of formation and interaction energies in steel and their relations to the solubility limit of carbon in austenite and ferrite. Master, RWTH-Aachen, Aachen, Germany (2007)

Grabowski, M.: Entwicklung und Validierung DFT-basierter EAM-Potentiale. Bachelor, Heinrich-Heine-Universität, Düsseldorf, Germany (2013)

Twiste, F.: Modellierung von Schmelzprozessen entlang von Korngrenzen mittels Greensfunktionsmethode. Bachelor, Heinrich-Heine Universität Düsseldorf, Düsseldorf, Germany (2012)

Tillack, N.: Combined Ab Initio and Kinetic Monte-Carlo Studies on Nano-Precipitates in Steels. Bachelor, Ruhr-Universität, Bochum, Germany (2010)

Raabe, D.; Sander, B.; Friák, M.; Ma, D.; Neugebauer, J.: Ab-initio simulation and experimental validation of beta-titanium alloys. (2008)

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Bekemeier, S.; Rego, C. R. C.; Mai, H. L.; Saikia, U.; Waseda, O.; Apel, M.; Arendt, F.; Aschemann, A.; Bayerlein, B.; Courant, R. et al.; Dziwis, G.; Fuchs, F.; Giese, U.; Junghanns, K.; Kamal, M.; Koschmieder, L.; Leineweber, S.; Luger, M.; Lukas, M.; Maas, J.; Mertens, J.; Mieller, B.; Overmeyer, L.; Pirch, N.; Reimann, J.; Schröck, S.; Schulze, P.; Schuster, J.; Seidel, A.; Shchyglo, O.; Sierka, M.; Silze, F.; Stier, S.; Tegeler, M.; Unger, J. F.; Weber, M.; Hickel, T.; Schaarschmidt, J.: Advancing Digital Transformation in Material Science: The Role of Workflows Within the MaterialDigital Initiative, Advanced Engineering Materials 27, (2025)

Dehm, G.; Weikum, G.; Neugebauer, J.: Organizer of the "BiGmax Workshop 2022 on Big-Data-Driven Materials Science". (2022)

Hübel, K.; Rohwerder, M.; Scheu, C.; Todorova, M.: Organizer of the workshop “Status and Future Challenges in Characterisation of Interfaces for Electrochemical Applications - Part 1” at the MPIE. (2016)

Spatschek, R.; Varnik, F.: Thermodynamics and Statistics. (2011)

Spatschek, R.; Varnik, F.: Thermodynamics and Statistics. (2011)

Hickel, T.; Kattner, U. R.; Fries, S. G.: Computational Thermodynamics: Recent developments and future potential and prospects. Physica Status Solidi B 251 (1), pp. 9 - 13 (2014)

Neuß, D.; McCaroll, I.; Zhang, S.; Woods, E.; Delis, W. J.; Tanure, L.; Springer, H.; Sandlöbes, S.; Yang, J.; Todorova, M. et al.; Zander, D.; Scheu, C.; Schneider, J. M.; Hans, M.: High-resolution chemical and structural characterization of the native oxide scale on a Mg-based alloy. arXiv (2023)

Tehranchi, A.; Zhang, S.; Zendegani, A.; Scheu, C.; Hickel, T.; Neugebauer, J.: Metastable defect phase diagrams as a tool to describe chemically driven defect formation: Application to planar defects. arXiv (2023)