Publications of Jörg Neugebauer

Neugebauer, J.: Materials design and discovery on the computer: Prospects and challenges. Kolloquium Universität Braunschweig , Braunschweig, Germany (2015)

Djaziri, S.; Li, Y.; Nematollahi, G. A.; Goto, S.; Kirchlechner, C.; Grabowski, B.; Neugebauer, J.; Raabe, D.; Dehm, G.: Deformation-driven phase transition in severely cold-deformation pearlitic steel. General Meeting on the Mechanics of Nano-Objects, Marseille, France (2015)

Körmann, F.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Temperature-dependent coupling of atomic and magnetic degree of freedom from first-principles. Electronic Structure Theory for the Accelerated Design of Structural Materials, Moscow, Russia (2015)

Djaziri, S.; Li, Y.; Nematollahi, G. A.; Goto, S.; Kirchlechner, C.; Grabowski, B.; Neugebauer, J.; Raabe, D.; Dehm, G.: Supersaturated ferrite in severely cold-drawn pearlitic steel - X-ray diffraction study. Pearlite Workshop, MPI für Eisenforschung GmbH, Düsseldorf, Germany (2015)

Neugebauer, J.: Towards automated toolsets for computing high-precision free energies by ab initio approaches. MS&T, Columbus, OH, USA (2015)

Neugebauer, J.: Design of structural materials by ab initio guided multiscale simulations. CMRI Symposium, Sendai, Japan (2015)

Neugebauer, J.: Mastering the structural and thermodynamic complexity of modern materials. ESTADSM Conference, Moskau, Russia (2015)

Neugebauer, J.: Stand ICMPE in Wissenschaft und Industrie. VDI-GME Werkstoffdialog, Maria Laach, Germany (2015)

Dey, P.; Nazarov, R.; Dutta, B.; Yao, M.; Herbig, M.; Friák, M.; Hickel, T.; Raabe, D.; Neugebauer, J.: Ab initio explanation of off-stoichiometry in Fe–Mn–Al–C κ carbides. Intermetallics 2015, Bad Staffelstein, Germany (2015)

Neugebauer, J.: Ab initio guided design of structurally and thermodynamically complex materials. PSIK Conference, San Sebastian, Spain (2015)

Neugebauer, J.: Ab Initio Computation of Phonon-Phonon and Magnon-Phonon Interactions: Successes and Challenges. Workshop DyProSo, Freising, Germany (2015)

Neugebauer, J.: Design of structural materials by predictive ab initio thermodynamics: Challenges, applications and perspectives. Euromat Conference, Warsaw, Poland (2015)

Vatti, A. K.; Todorova, M.; Neugebauer, J.: Formation Energy of Halide ions (Cl/Br/I) in water from ab-initio Molecular Dyna. Psi-k 2015 Conference, San Sebastián, Spain (2015)

Neugebauer, J.: Quantum-mechanical approaches to address the structural and thermodynamic complexity of engineering materials. Swedish Chemical Society, Kalmar, Sweden (2015)

Neugebauer, J.: Understanding the fundamental mechanisms behind H embrittlement: An ab initio guided multiscale approach. Colloquium UCB Vancouver, Vancouver, Canada (2015)

Neugebauer, J.: Vacancies in fcc metals: Discovery of large non-Arrhenius effects. The 5th Sino-German Symposium Thermodynamics and Kinetics of Nano and Mesoscale Materials and Their Applications, Changchun, China (2015)

Hickel, T.; Dutta, B.; Körmann, F.; Neugebauer, J.: Coupling of magnetic and lattice degrees of freedom in bulk materials. Magnetism Workshop, Fagerudd, Sweden (2015)

Kuzmina, M.; Choi, P.-P.; Ma, D.; Hickel, T.; Neugebauer, J.; Friák, M.; Herbig, M.; Ponge, D.; Tasan, C. C.; Sandlöbes, S. et al.; Raabe, D.: Scale hoping simulations and real atoms. ICAMS Workshop ‘From Atoms to Continuum’,ICAMS, Ruhr University Bochum, Bochum, Germany (2015)

Neugebauer, J.: PyIron – A Python Based Workbench for Automated Atomistic Simulations. CECAM Conference, Lausanne, Switzerland (2015)

Neugebauer, J.: From surface modeling to novel semiconductor growth strategies. MDRC Conference on Material Defects, Lake Arrowhead, CA, USA (2015)