Publications of Jörg Neugebauer

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)

Grabowski, B.; Wippermann, S. M.; Glensk, A.; Hickel, T.; Neugebauer, J.: Random phase approximation up to the melting point: Impact of anharmonicity and nonlocal many-body effects on the thermodynamics of Au. DPG Spring Meeting 2015, Berlin, Germany (2015)

Gupta, A.; Dutta, B.; Hickel, T.; Neugebauer, J.; Buranova, Y.; Divinski, S. V.: Thermodynamic phase stability in the Al–Sc system using first principles methods. 79th Annual Meeting of the DPG, DPG-Frühjahrstagung 2015, Technische Universität Berlin, Berlin, Germany (2015)

Korbmacher, D.; Glensk, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.; Duff, A.; Finnis, M. W.: Ab initio description of the Ti bcc to omega transition at finite temperatures. DPG-Frühjahrstagung 2015, Berlin, Germany (2015)

Körmann, F.; Grabowski, B.; Dutta, B.; Hickel, T.; Neugebauer, J.: Magnon-Phonon-Coupling in Fe. ICAMS Retreat 2015 , Soest, Germany (2015)

Neugebauer, J.: Multi scale Simulation of complex materials under realistic environments. RESOLV Workshop , Velen, Germany (2015)

Shanthraj, P.; Zhang, H.; Leyson, G.; Roters, F.; Hickel, T.; Raabe, D.; Neugebauer, J.: Multiscale modelling of hydrogen embrittlement in metals. DPG Spring Meeting, Berlin, Germany (2015)

Vatti, A. K.; Todorova, M.; Neugebauer, J.: Formation energy of ions in water: An ab-initio molecular dynamics study. DPG 2015, Berlin, Germany (2015)

Zendegani, A.; Körmann, F.; Hickel, T.; Neugebauer, J.: Thermodynamics of the Q phase in Al–Mg–Cu–Si. ICAMS Scientific Retreat, Soest, Germany (2015)