Aydin, U.: Interstitial solution enthalpies derived from rst-principles: Knowledge Discovery using High-Throughput Databases. Dissertation, Universität Paderborn, Fakultät für Naturwissenschaften, Paderborn, Germany (2016)

Glensk, A.: Anharmonic contributions to ab initio computed thermodynamic material properties. Dissertation, University of Paderborn, Paderborn, Germany (2015)

Kenmoe, S.: Ab Initio Study of the Low-Index Non-Polar Zinc Oxide Surfaces in Contact with Water: from Single Molecules to Multilayers. Dissertation, Fakultät für Physik und Astronomie der Ruhr-Universität Bochum, Bochum, Germany (2015)

Pei, Z.: Theory-guided combinatorial materials design of ductile Mg-based alloys: employing ab initio and atomistic methods. Dissertation, RWTH Aachen, Aachen, Germany (2015)

Nematollahi, G. A.: Multiscale description of super-saturated ferrite in severely deformed pearlitic wires. Dissertation, Ruhr-Universität Bochum, Bochum, Germany (2014)

Lange, B.: Limitierungen der p-Dotierbarkeit von Galliumnitrid: Eine Defektstudie von GaN:Mg auf Basis der Dichtefunktionaltheorie. Dissertation, Universität Paderborn, Paderborn, Germany (2012)

Hamou, F. R.: Numerical Investigation of Scanning Electrochemical Potential Microscopy (SECPM). Dissertation, Fakultät für Physik und Astronomie der Ruhr-Universität, Bochum, Germany (2010)

Abu-Farsakh, H.: Understanding the interplay between thermodynamics and surface kinetics in the growth of dilute nitride alloys from first principles. Dissertation, University of Paderborn, Paderborn, Germany (2010)

Marquardt, O.: Implementation and application of continuum elasticity theory and a k.p-model to investigate optoelectronic properties of semiconductor nanostructures. Dissertation, University of Paderborn, Paderborn, Germany (2010)

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)

Surendralal, S.: 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)