Grabowski, B.: Towards ab initio assisted materials design: DFT based thermodynamics up to the melting point. Dissertation, University of Paderborn, Paderborn, Germany (2009)

Boeck, S.: Development and Application of the S/PHI/nX Library. Dissertation, University of Paderborn, Paderborn, Germany (2009)

Torres, E.: DFT Study of Alkanethiol Self-assembled Monolayers on Gold(111) Surfaces. Dissertation, Ruhr-Universität-Bochum, Fakultät für Physik und Astronomie, Bochum, Germany (2009)

Wahn, M.: Implementierung und Test des Variationellen EXX-Verfahrens. Dissertation, University of Paderborn, Paderborn, Germany (2009)

Dick, A.: Ab initio STM and STS simulations on magnetic and nonmagnetic metallic surfaces. Dissertation, University of Paderborn, Paderborn, Germany (2008)

Hausmann, K.: Cementite in Ferrite from First-Principles: Influence of Substitutional Impurities on Thermodynamic Stability. Diploma, RWTH Aachen, Aachen, Germany (2011)

Gomoll, T.: Ab initio Berechnung von Phononenspektren in Systemen mit reduzierter Symmetrie. Diploma, Technische Fachhochschule Berlin, Berlin, Germany (2008)

Aydin, U.: Ab initio Studie der Energetik und Dynamik von Wasserstoff in Metallen. Diploma, Technische Fachhochschule Berlin, Berlin, Germany (2008)

Uchdorf, T.: Developing a general purpose database application for multiphysics. Diploma, Fachhochschule Aachen, Standort Jülich, Jülich, Germany (2008)

Bhuva, V.: Algorithms for optimal chemical ordering. Master, University of Passau (2021)

Mathews, P.: Concentration-dependent finite temperature effects in metallic alloys. Master, Ruhr-Universität Bochum (2021)

Aslam, A.: Thermodynamics of binary alloys at atomistic scale. Master, Ruhr-Universität Bochum (2020)

Saxena, A.: Machine learning the formation of defect phases in aluminium alloys. Master, Ruhr-Universität Bochum (2020)

Dsouza, R.: Fully anharmonic self-diffusion coefficients using the Finite-Temperature String method. Master, Ruhr-Universität Bochum (2019)

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)