Talk (77)

101.
Talk
Neugebauer, J.: Introduction to density functional Theory from a materials science perspective. ICAMS course “Multiscale Modelling”, Bochum, Germany (2015)
102.
Talk
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)
103.
Talk
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)
104.
Talk
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)
105.
Talk
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)
106.
Talk
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)
107.
Talk
Körmann, F.; Grabowski, B.; Dutta, B.; Hickel, T.; Neugebauer, J.: Temperature dependent magnon-phonon coupling. 2nd German-Austrian Workshop, Kirchdorf, Austria (2015)
108.
Talk
Neugebauer, J.: Ab Initio Thermodynamics: A Novel Route to Design Structural Materials with Superior Mechanical Properties. TMS-MEMA Conference, Doha, Katar (2015)
109.
Talk
Neugebauer, J.: Big Data im computergestützten Materialdesign. CPTS Big Data round table, Tübingen, Germany (2015)
110.
Talk
Neugebauer, J.: Design and discovery of structural materials on the computer: Prospects and challenges. Colloquium at Universität Magdeburg, Magdeburg, Germany (2015)
111.
Talk
Neugebauer, J.: Ab initio description of finite temperature phase stabilities and transformations. PTM Conference, Whistler, BC, Canada (2015)
112.
Talk
Neugebauer, J.: Ab initio computation of free energies up to the melting point: Status and challenges. Symposium in Uppsala, Uppsala, Sweden (2015)
113.
Talk
Vatti, A. K.; Todorova, M.; Neugebauer, J.: Formation Energy of ions in water: An ab initio molecular dynamics study. 2nd German-Austrian Workshop on "Computational Materials Science on Complex Energy Landscapes", Kirchdorf, Austria (2015)
114.
Talk
Zendegani, A.; Körmann, F.; Hickel, T.; Hallstedt, B.; Neugebauer, J.: First-principles study of thermodynamic properties of the Q phase in Al–Cu–Mg–Si. Calphad XLIV, Loano, Italy (2015)
115.
Talk
Zendegani, A.; Körmann, F.; Hickel, T.; Neugebauer, J.: First-principles study of thermodynamic properties of the Q-phase in Al–Cu–Mg–Si. 2nd German-Austrian Workshop, Kirchdorf, Austria (2015)
116.
Talk
Zhang, X.; Hickel, T.; Rogal, J.; Drautz, R.; Neugebauer, J.: Atomistic origin of structural modulations in Fe ultrathin films on Cu(001). 2nd German-Austrian Workshop, Kirchdorf, Austria (2015)

Poster (6)

117.
Poster
Glensk, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: The origin of anharmonicity in fcc solids. PSI-K Meeting 2015, San Sebastián, Spain (2015)
118.
Poster
Vatti, A. K.; Todorova, M.; Neugebauer, J.: Formation Energy of Zn-ions in water: An ab initio molecular dynamics study. ICMR Workshop - Workshop on Charged Systems and Solid/Liquid Interfaces, University of California , Santa Barbara, USA (2015)
119.
Poster
Cheng, S.-T.: Ab-initio study on the corrosion of pure Mg and Mg-Zn systems. Faraday Discussions Corrosion Chemistry Meeting of the Royal Society of Chemistry, London, UK (2015)
120.
Poster
Glensk, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Breakdown of the Arrhenius Law in Describing Vacancy Formation Energies. Nothing is Perfect 2015, Ascona, Switzerland (2015)
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