Publications of J. Neugebauer

Thesis - PhD (21)

Thesis - PhD
Lange, B.: Limitierungen der p-Dotierbarkeit von Galliumnitrid: Eine Defektstudie von GaN:Mg auf Basis der Dichtefunktionaltheorie. Dissertation, Universität Paderborn, Paderborn, Germany (2012)
Thesis - PhD
Hamou, F. R.: Numerical Investigation of Scanning Electrochemical Potential Microscopy (SECPM). Dissertation, Fakultät für Physik und Astronomie der Ruhr-Universität, Bochum, Germany (2010)
Thesis - PhD
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)
Thesis - PhD
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)
Thesis - PhD
Grabowski, B.: Towards ab initio assisted materials design: DFT based thermodynamics up to the melting point. Dissertation, University of Paderborn, Paderborn, Germany (2009)
Thesis - PhD
Boeck, S.: Development and Application of the S/PHI/nX Library. Dissertation, University of Paderborn, Paderborn, Germany (2009)
Thesis - PhD
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)
Thesis - PhD
Wahn, M.: Implementierung und Test des Variationellen EXX-Verfahrens. Dissertation, University of Paderborn, Paderborn, Germany (2009)
Thesis - PhD
Dick, A.: Ab initio STM and STS simulations on magnetic and nonmagnetic metallic surfaces. Dissertation, University of Paderborn, Paderborn, Germany (2008)

Thesis - Master (10)

Thesis - Master
Bhuva, V.: Algorithms for optimal chemical ordering. Master, University of Passau (2021)
Thesis - Master
Mathews, P.: Concentration-dependent finite temperature effects in metallic alloys. Master, Ruhr-Universität Bochum (2021)
Thesis - Master
Aslam, A.: Thermodynamics of binary alloys at atomistic scale. Master, Ruhr-Universität Bochum (2020)
Thesis - Master
Saxena, A.: Machine learning the formation of defect phases in aluminium alloys. Master, Ruhr-Universität Bochum (2020)
Thesis - Master
Dsouza, R.: Fully anharmonic self-diffusion coefficients using the Finite-Temperature String method. Master, Ruhr-Universität Bochum (2019)
Thesis - Master
Gajera, U.: Phase diagrams derived from optimized empirical potentials. Master, Ruhr-Universität Bochum (2019)
Thesis - Master
Surendralal, S.: Automated Calculations for Charged Point Defects in Magnesium Oxide and Iron Oxides. Master, Ruhr-Universität Bochum, GermanyRuhr-Universität Bochum, Bochum, Germany (2016)
Thesis - Master
Sözen, H. I.: Ab initio investigations on the energetics and kinetics of defects in Fe–Al alloys. Master, Ruhr-Universität Bochum, Bochum, Germany (2014)
Thesis - Master
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)
Thesis - Master
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)

Thesis - Bachelor (1)

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