Publications of Jörg Neugebauer

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)

Neugebauer, J.: Quantum mechanical design of structural materials on the computer. Colloquium at Heinrich Heine Universität Düsseldorf, Düsseldorf, Germany (2015)

Neugebauer, J.: A brief introduction to surface science from a modelers perspective. Colloquium at Ecole Polytechnique, Paris, France (2015)

Neugebauer, J.: Introduction to density functional Theory from a materials science perspective. ICAMS course “Multiscale Modelling”, Bochum, Germany (2015)

Dey, P.; Nazarov, R.; Yao, M.; Friák, M.; Hickel, T.; Neugebauer, J.: Adaptive C content in coherently strained kappa-carbides - An ab initio explanation of atom probe tomography data. 2nd German-Austrian Workshop on "Computational Materials Science on Complex Energy Landscapes", Kirchdorf, Austria (2015)

Dutta, B.; Körmann, F.; Hickel, T.; Neugebauer, J.: The itinerant coherent potential approximation for phonons: Role of fluctuations for systems with magnetic disorder. 2nd German-Austrian Workshop, Kirchdorf, Austria (2015)

Gupta, A.; Dutta, B.; Hickel, T.; Neugebauer, J.: Thermodynamic phase stability in the Al–Sc system using first principles methods. 2nd German-Austrian Workshop on "Computational Materials Science on Complex Energy Landscapes", Kirchdorf, Austria (2015)

Hickel, T.; Nazarov, R.; McEniry, E.; Dey, P.; Neugebauer, J.: Ab initio insights into the interaction of hydrogen with precipitates in steels. Workshop on Hydrogen Embrittlement and Sour Gas Corrosion 2015, Düsseldorf, 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. PTM 2015, International Conference on Solid-Solid Phase Transformations in Inorganic Materials, Whistler, BC, Canada (2015)

Körmann, F.; Grabowski, B.; Dutta, B.; Hickel, T.; Neugebauer, J.: Temperature dependent magnon-phonon coupling. 2nd German-Austrian Workshop, Kirchdorf, Austria (2015)