Publications of J. Neugebauer

Neugebauer, J.; Hickel, T.: Moderne Computersimulations-Methoden in der Festkörperphysik. Lecture: Hands-on-Tutorial, Ruhr-Universität Bochum, Bochum, Germany, September 20, 2010 - September 24, 2010

Neugebauer, J.; Hickel, T.: Computerpraktikum: Moderne Computersimulationsmethoden in der Festkörperphysik. Lecture: Blockpraktikum, MPIE, Düsseldorf, Germany, September 20, 2010 - September 24, 2010

Friak, M.; Nikolov, S.; Petrov, M.; Sachs, C.; Ma, D.; Fabritius, H.; Lymperakis, L.; Raabe, D.; Neugebauer, J.: Ab-initio based multi-scale approaches to the elasticity of metallic polycrystals and hierarchical biocomposites. Lecture: XI National Congress on Theoretical and Applied Mechanics, Borovets, Bulgaria, September 02, 2009 - September 05, 2009

Sander, B.; Ma, D.; Friák, M.; Roters, F.; Zaafarani, N.; Zaefferer, S.; Neugebauer, J.; Raabe, D.: 1) Design of new Ti-based biomaterials by using ab-initio simulations, FEM, and experiments 2) Detailed analysis of an indent. Lecture: AICES – MIT conference, RWTH Aachen, Germany, October 08, 2007

Raabe, D.; Roters, F.; Sachs, C.; Romano, P.; Al-Sawalmih, A.; Fabritius, H.; Zaefferer, S.; Bastos da Silva, A. F.; Konrad, J.; Neugebauer, J. et al.; Petrov, M.; Lymperakis, L.: Micromechanics of Metallic Crystals and Fresh Lobster. Lecture: Lecture at MPI für Mikrostrukturphysik, Halle, Germany, 2006

Raabe, D.; Sachs, C.; Fabritius, H.; Friák, M.; Petrov, M.; Nikolov, S.; Romano, P.; Neugebauer, J.: Principles to design and simulate hierarchical materials with property-relevant structural features.

Deißenbeck, F.: Development of an ab initio electrochemical cell: Understanding the dielectric properties of interfacial water and Mg dissolution from first principles. Dissertation, Philipps-Universität Marburg, Germany (2024)

Janßen, J.: pyiron – an integrated development environment for ab-initio thermodynamics. Dissertation, Paderborn University, Germany (2021)

Lochner, F.: Interplay of Real Space and Electronic Structure for Iron-Based Superconductors: An ab initio Study. Dissertation, Ruhr-Universität Bochum, Germany (2021)

Zendegani, A.: Ab initio based study of the thermodynamics of complex intermetallics. Dissertation, Ruhr-Universität Bochum (2020)

Surendralal, S.: Development of an ab initio computational potentiostat and its application to the study of Mg corrosion. Dissertation, Ruhr Universität Bochum (2020)

Gupta, A.: Ab initio based study of precipitate formation in advanced structural Al-based alloys. Dissertation, Ruhr-Universität Bochum (2019)

Sözen, H. I.: Ab initio phase stabilities of Ce-based hard magnetic materials. Dissertation, Ruhr-Universität Bochum (2019)

Korbmacher, D.: Ab initio study of strongly anharmonic and dynamically unstable systems. Dissertation, Ruhr-Universität Bochum (2019)

Vatti, A. K.: An ab initio study of muscovite mica and formation energy of ions in liquid water. Dissertation, Fakultät für Maschinenbau der Ruhr-Universität Bochum, Bochum, Germany (2016)

Bhogireddy, V. S. P. K.: Liquid metal induced grain boundary embrittlement: A multi-scale study. Dissertation, Fakultät für Maschinenbau der Ruhr-Universität Bochum, Bochum, Germany (2016)

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

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)

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)