Gajera, U.: Phase diagrams derived from optimized empirical potentials. Master, Ruhr-Universität Bochum (2019)

Surendralal, S.; Todorova, M.: Automated Calculations for Charged Point Defects in Magnesium Oxide and Iron Oxides. Master, Ruhr-Universität Bochum, GermanyRuhr-Universität Bochum, Bochum, Germany (2016)

Gupta, A.: Precipitation Kinetics in Binary Alloys. Master, Ruhr-Universität Bochum, Bochum, Germany (2015)

Sözen, H. I.: Ab initio investigations on the energetics and kinetics of defects in Fe–Al alloys. Master, Ruhr-Universität Bochum, Bochum, Germany (2014)

Nguyen, C.-D.: Structural interactions between solid-melt interfaces. Master, Ruhr-Universität Bochum, Bochum, Germany (2013)

Korbmacher, D.: Dual scale modeling of hydrogen embrittlement. Master, Ruhr-Universität Bochum, Bochum, Germany (2012)

Tillack, N.: Chemical Trends in the Yttrium-Oxide Precipitates in Oxide Dispersion Strengthened Steels: A First-Principles Investigation. Master, Ruhr-Universität Bochum, Bochum, Germany (2012)

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)

Thermodynamics and Statistical Physics.

Thermodynamics and Statistical Physics.

Alkauskas, A.; Deak, P.; Neugebauer, J.; Pasquarello, A.; van de Walle, C. G. (Hg.): Advanced Calculations for Defects in Solids - Electronic Structure Methods - Preface (Sonderheft). Physica Status Solidi B 248, (1) (2011), 17-18 S.

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)