Publications

Teaching (36)

1. 1661.
   MPG.PuRe
   Teaching

   Hickel, T.: Moderne Computersimulations-Methoden in der Festkörperphysik. Lecture: Lectures and Exercises, Ruhr-Universität, Bochum, Germany, October 12, 2009 - February 05, 2010
2. 1662.
   MPG.PuRe
   Teaching

   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
3. 1663.
   MPG.PuRe
   Teaching

   Friak, M.: Ab initio and density functional calculations. Lecture: CCMX Summer School Course "Modelling in Materials Science: Theory and Applications" at EPFL (Ecole Polytechnique Federale de Lausanne), Lausanne, Switzerland, August 26, 2009 - August 28, 2009
4. 1664.
   MPG.PuRe
   Teaching

   Friák, M.: Ab initio based approaches to the theory-guided materials design. Lecture: EU Regional School – Materials Science, Aachen Institute for Advanced study in Computational Engineering Science (AICES), RWTH Aachen, Germnay, September 22, 2008
5. 1665.
   MPG.PuRe

   Full
   Teaching

   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
6. 1666.
   MPG.PuRe

   Full
   Teaching

   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
7. 1667.
   MPG.PuRe
   Teaching

   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.

Thesis - PhD (16)

1. 1668.
   MPG.PuRe
   Thesis - PhD

   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)
2. 1669.
   MPG.PuRe
   Thesis - PhD

   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)
3. 1670.
   MPG.PuRe
   Thesis - PhD

   Aydin, U.: Interstitial solution enthalpies derived from rst-principles: Knowledge Discovery using High-Throughput Databases. Dissertation, Universität Paderborn, Fakultät für Naturwissenschaften, Paderborn, Germany (2016)
4. 1671.
   MPG.PuRe
   Thesis - PhD

   Glensk, A.: Anharmonic contributions to ab initio computed thermodynamic material properties. Dissertation, University of Paderborn, Paderborn, Germany (2015)
5. 1672.
   MPG.PuRe
   Thesis - PhD

   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)
6. 1673.
   MPG.PuRe
   Thesis - PhD

   Pei, Z.: Theory-guided combinatorial materials design of ductile Mg-based alloys: employing ab initio and atomistic methods. Dissertation, RWTH Aachen, Aachen, Germany (2015)
7. 1674.
   MPG.PuRe
   Thesis - PhD

   Nematollahi, G. A.: Multiscale description of super-saturated ferrite in severely deformed pearlitic wires. Dissertation, Ruhr-Universität Bochum, Bochum, Germany (2014)
8. 1675.
   MPG.PuRe
   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)
9. 1676.
   MPG.PuRe
   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)
10. 1677.
    MPG.PuRe
    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)
11. 1678.
    MPG.PuRe
    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)
12. 1679.
    MPG.PuRe
    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)
13. 1680.
    MPG.PuRe
    Thesis - PhD

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