Publications of Jörg Neugebauer

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)

Neugebauer, J.: Ab initio thermodynamics: A novel route to design materials on the computer. Colloquium at Universität Marburg, Marburg, Germany (2015)

Neugebauer, J.: Understanding the fundamental mechanisms behind H embrittlement: An ab initio guided multiscale approach. International Workshop MoD-PMI , Marseille, France (2015)

Hickel, T.; Bleskov, I.; Körmann, F.; Neugebauer, J.: Chemo-mechanical coupling: Ab initio concepts for Fe-based alloys. SPP1713 spring school, Maria Laach, Germany (2015)

Hickel, T.; Dutta, B.; Körmann, F.; Neugebauer, J.: Coupling of magnetic and lattice degrees of freedom in metals. Magnetism Minisymposium, Uppsala, Sweden (2015)

Neugebauer, J.: Materials design based on predictive ab initio thermodynamics. Colloquium at Lawrence Livermore National Lab, Livermore, CA, USA (2015)

Neugebauer, J.: Ordering phenomena in InGaN. Lecture at University of California, Santa Barbara, Santa Barbara, CA, USA (2015)

Neugebauer, J.: Overcoming Growth Limitations by ab initio Guided Surface Engineering. ICMCTF Conference, San Diego, CA, USA (2015)

Neugebauer, J.: Electrochemistry from a semiconductor physics perspective: New tools and insights. SurMat Workshop , Düsseldorf, Germany (2015)

Neugebauer, J.: Point Defects at Finite Temperatures. Conference and Workshop “Nothing is perfect, Monte Verita, Switzerland (2015)

Raabe, D.; Neugebauer, J.; Tasan, C. C.; Roters, F.; Ma, D.; Sandlöbes, S.; Diehl, M.: Materials Simulation: Mechanisms and Processes. BMBF Wing Conference, Dresden, Germany (2015)

Dutta, B.; Körmann, F.; Hickel, T.; Ghosh, S.; Sanyal, B.; Neugebauer, J.: The Itinerant Coherent Potential Approximation for phonons: role of fluctuations for systems with magnetic and chemical disorder. Materials Theory Group, Oak Ridge National Laboratory, Oak Ridge, TN, USA (2015)

Dey, P.; Nazarov, R.; Friák, M.; Yao, M.; Hickel, T.; Neugebauer, J.: Adaptive C content in coherently strained kappa-carbides - An ab-initio explanation of atom probe tomography data. TMS 2015, Orlando, FL, USA (2015)