Talk (1232)

801.
Talk
Neugebauer, J.; Surendralal, S.; Todorova, M.: First-principles appraoch to model electrochemical reactions at solid-liquid interfaces. ACS 2019 Fall Meeting & Exhibition, San Diego, CA, USA (2019)
802.
Talk
Todorova, M.; Surendralal, S.; Neugebauer, J.: Degradation processes at surfaces and interfaces. ISAM4: The fourth International Symposium on Atomistic and Multiscale Modeling of Mechanics and Multiphysics, Friedrich-Alexander Universität Erlangen-Nürnberg (FAU), Erlangen, Germany (2019)
803.
Talk
Neugebauer, J.; Huber, L.; Körmann, F.; Grabowski, B.; Hickel, T.: Ab initio input for multiphysics models: Accuracy, performance and challenges. ISAM4: The fourth International Symposium on Atomistic and Multiscale Modeling of Mechanics and Multiphysics, Erlangen, Germany (2019)
804.
Talk
Liebscher, C.; Meiners, T.; Harzer, T. P.; Freysoldt, C.; Dehm, G.: Atomic scale phase separation tendencies in nanostructured copper alloys. 26th International Symposium on Metastable, Amorphous and Nanostructured Materials 2019 (ISMANAM 2019), Chennai, India (2019)
805.
Talk
Neugebauer, J.: Machine Learning in Materials: Screening and Discovery. Gordon Research Conference Physical Metallurgy „Coupling Computation, Data Science and Experiments in Physical Metallurgy“, Manchester, NH, USA (2019)
806.
Talk
Todorova, M.; Yoo, S.-H.; Surendralal, S.; Neugebauer, J.: Ab initio approach to electrochemisty and corrosion. Computational Materials Chemistry Workshop, Telluride, CO, USA (2019)
807.
Talk
Hickel, T.; Gupta, A.; Neugebauer, J.; Kavakbasi, B. T.; Buranova, Y.; Kulitskiy, V. A.; Wilde, G.; Divinski, S. V.: Precipitate-induced nonlinearities of solute diffusion in Al-based alloys. 15th Diffusion in Solids and Liquids (DSL) Conference, Athens, Greece (2019)
808.
Talk
Freysoldt, C.: Modelling of charged point defects with density-functional theory. 4th International Workshop on Models and Data for Plasma-Material Interaction in Fusion Devices, National Institute for Fusion Science (NIFS), Toki, Japan (2019)
809.
Talk
Todorova, M.; Surendralal, S.; Neugebauer, J.: Building an ab-initio potentiostat in a standard DFT code with periodic boundary conditions. ELRC2019 - IPAM reuniuon workshop, Lake Arrowhead, CA, USA (2019)
810.
Talk
Huber, L.; Hadian, R.; Grabowski, B.; Neugebauer, J.: Computing and modelling solute-grain boundary interaction. Canadian Materials Science Conference, Vancouver, Canada (2019)
811.
Talk
Hickel, T.; Dutta, B.; Stockem, I.; Körmann, F.; Neugebauer, J.: Ab initio design strategies for NiMn-based FSMA. 6th Int. Conf. of Ferromagnetic Shape-Memory Alloys CFSMA, Prague, Czech Republic (2019)
812.
Talk
Kwiatkowski da Silva, A.; Ponge, D.; Kamachali, R. D.; Gault, B.; Neugebauer, J.; Raabe, D.: Thermodynamics of Grain Boundary Segregation and Interfacial Spinodal: A CALPHAD-based Modeling Approach and Near-atomic Scale Characterization. CALPHAD XLVIII, Singapore, Singapore (2019)
813.
Talk
Zhu, L.-F.; Janßen, J.; Grabowski, B.; Neugebauer, J.: Melting parameters from ab initio using the fast statistical sampling TOR-TILD approach: Applications to Al and Ni. CALPHAD XLVIII CONFERENCE, Singapore, Singapore (2019)
814.
Talk
Raabe, D.; Ponge, D.; Kwiatkowski da Silva, A.; Makineni, S. K.; Katnagallu, S.; Stephenson, L.; Kontis, P.; Wu, X.; Freysoldt, C.; Neugebauer, J. et al.; Gault, B.: Chemistry at Lattice Defects Probed at Atomic Scale. The 53rd Annual Meeting of the Israel Society for Microscopy, Tel Aviv, Israel, Tel Aviv, Israel (2019)
815.
Talk
Raabe, D.; Ponge, D.; Kwiatkowski da Silva, A.; Makineni, S. K.; Katnagallu, S.; Stephenson, L.; Kontis, P.; Wu, X.; Freysoldt, C.; Neugebauer, J. et al.; Gault, B.: Interaction of Chemistry and Structure at Lattice Defects at Atomic Scale. Russell Berrie Nanotechnology Institute, Technion, Haifa, Israel, Haifa, Israel (2019)
816.
Talk
Raabe, D.; Katnagallu, S.; Stephenson, L.; Balachandran, S.; Freysoldt, C.; Neugebauer, J.; Gault, B.: Imaging single vacancies and atoms using joint FIM and APT experiments. Conference on Possibilities and Limitations of Quantitative Materials Modeling and Characterization, Bernkastel-Kues, Germany (2019)
817.
Talk
Neugebauer, J.; Janßen, J.; Körmann, F.; Hickel, T.; Grabowski, B.: Exploiting large ab initio data spaces to design materials with superior mechanical propertiess. 2019 BIOVIA User Conference, Düsseldorf, Germany (2019)
818.
Talk
Raabe, D.; Ponge, D.; Kwiatkowski da Silva, A.; Makineni, S. K.; Katnagallu, S.; Stephenson, L.; Freysoldt, C.; Neugebauer, J.; Gault, B.: Chemistry and Structure of Lattice Defects. Physics Colloquium, Faculty of Physics, University Duisburg-Essen, Duisburg, Germany (2019)
819.
Talk
Todorova, M.; Yoo, S.-H.; Surendralal, S.; Neugebauer, J.: A fully ab initio approach to modelling electrochemical solid/liquid interfaces. Chemiekolloquium der Johannes Kepler Universität Linz, Linz, Austria (2019)
820.
Talk
Freysoldt, C.: Concepts and algorithms in SPHInX. Weierstraß-Institut für Angewandte Analysis und Stochastik, Online Seminar, Berlin, Germany (2019)
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