Talk (77)

41.
Talk
Neugebauer, J.: Materials design and discovery on the computer: Prospects and challenges. Kolloquium Universität Braunschweig , Braunschweig, Germany (2015)
42.
Talk
Grabowski, B.: Modern materials design from first-principles: Recent progress and future prospects. Seminar, Imperial College London, London, UK (2015)
43.
Talk
Grabowski, B.: Ab initio thermodynamics of the CoCrFeMnNi high entropy alloy: Importance of entropy contributions beyond the configurational one. ICAMS Seminar, Ruhr-University Bochum, Bochum, Germany (2015)
44.
Talk
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)
45.
Talk
Grabowski, B.: Random phase approximation up to the melting point: The impact of anharmonicity and non-local many-body effects on the thermodynamics of Au. MISIS Workshop, Moscow, Russia (2015)
46.
Talk
Körmann, F.: Temperature dependent coupling of atomic and magnetic degrees of freedom from first-principles. Workshop on Electronic Structure Theory of Accelerated Design of Structural Materials, Moscow, Russia (2015)
47.
Talk
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)
48.
Talk
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)
49.
Talk
Neugebauer, J.: Towards automated toolsets for computing high-precision free energies by ab initio approaches. MS&T, Columbus, OH, USA (2015)
50.
Talk
Neugebauer, J.: Design of structural materials by ab initio guided multiscale simulations. CMRI Symposium, Sendai, Japan (2015)
51.
Talk
Neugebauer, J.: Mastering the structural and thermodynamic complexity of modern materials. ESTADSM Conference, Moskau, Russia (2015)
52.
Talk
Neugebauer, J.: Stand ICMPE in Wissenschaft und Industrie. VDI-GME Werkstoffdialog, Maria Laach, Germany (2015)
53.
Talk
Freysoldt, C.: Accurate thermodynamic properties from ab initio simulations. International Conference on Theoretical and High Performance Computational Chemistry 2015, Qingdao, China (2015)
54.
Talk
Lymperakis, L.: Interplay of kinetics and thermodynamics of epitaxially grown wide bandgap semiconductors. 10th Asian-European Conference on Plasma Surface Engineering, Jeju Island, South Korea (2015)
55.
Talk
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)
56.
Talk
Neugebauer, J.: Ab initio guided design of structurally and thermodynamically complex materials. PSIK Conference, San Sebastian, Spain (2015)
57.
Talk
Neugebauer, J.: Ab Initio Computation of Phonon-Phonon and Magnon-Phonon Interactions: Successes and Challenges. Workshop DyProSo, Freising, Germany (2015)
58.
Talk
Neugebauer, J.: Design of structural materials by predictive ab initio thermodynamics: Challenges, applications and perspectives. Euromat Conference, Warsaw, Poland (2015)
59.
Talk
Todorova, M.: Electrochemistry from the perspective of semiconductor defect chemistry: New tools and insights. Psi-k Conference, San Sebastian, Spain (2015)
60.
Talk
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)
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