Talk (1232)

821.
Talk
Neugebauer, J.; Janßen, J.; Hickel, T.: Automated uncertainty analysis and quantification for high-precision DFT calculations. Workshop "Precision Quantification in DFT", Louvaine-la-Neuve, Belgien (2019)
822.
Talk
Surendralal, S.: Implementation of an ab initio electrochemical potentiostat: Application to Mg corrosion. Symposium "Fundamentals of the electrochemistry of the metal/electrolyte interface", Imperial College, London, UK (2019)
823.
Talk
Neugebauer, J.: Automizing work flows in computational materials design. Traceability and securing of results as essential challenges of research in the digital age, Berlin, Germany (2019)
824.
Talk
Tehranchi, A.; Hickel, T.; Neugebauer, J.: Atomistic simulations of hydrogen-defect interactions in metals. Workshop "Hydrogen in Metals - current understanding and future needs", St Anne's College, Oxford, UK (2019)
825.
Talk
Hickel, T.; Janßen, J.; Sözen, H. I.; Körmann, F.; Surendralal, S.; Todorova, M.; Lysogorskiy, Y.; Drautz, R.; Neugebauer, J.: High-throughput optimization of finite temperature phase stabilities: Concepts and application. DPG Frühjahrstagung der Sektion Kondensierte Materie, Regensburg, Germany (2019)
826.
Talk
Todorova, M.; Surendralal, S.; Neugebauer, J.: First-principles approach to model electrochemical reactions at the solid-liquid interface. Spring Meeting of the German Physical Society (DPG 2019), Regensburg, Germany (2019)
827.
Talk
Hickel, T.; Dey, P.; McEniry, E.; Yao, M.; Herbig, M.; Lipińska-Chwałek, M.; Liebscher, C.; Mušić, D.; Hallstedt, B.; Haase, C. et al.; Song, W.; Scheu, C.; Ponge, D.; Raabe, D.; Neugebauer, J.: κ carbide microstructures and the role of interfaces in high-Mn lightweight steels. High-Mn Steel 2019, Aachen, Germany (2019)
828.
Talk
Rao, Z.; Li, Z.; Körmann, F.; Dutta, B.; Ponge, D.; Schäfer, L.; Skokov, K.; Gutfleisch, O.; Raabe, D.: Abnormal magnetic behavior of FeNiCoMnCu high entropy alloys. DPG Regensburg 2019, Regensburg, Germany (2019)
829.
Talk
Wu, X.; Ikeda, Y.; Körmann, F.; Raabe, D.; Li, Z.: Quinary TWIP-TRIP high-entropy alloys: design, microstructure and mechanical properties. DPG Regensburg 2019, Regensburg, Germany (2019)
830.
Talk
Dutta, B.; Rao, Z.; Schäfer, L.; Li, Z.; Gutfleisch, O.; Körmann, F.; Raabe, D.: Tuning magnetic properties of high entropy alloys: A combined theoretical and experimental study. DPG Regensburg 2019, Regensburg, Germany (2019)
831.
Talk
Raabe, D.; Ponge, D.; Kwiatkowski da Silva, A.; Katnagallu, S.; Stephenson, L.; Freysoldt, C.; Diehl, M.; Liebscher, C.; Kamachali, R. D.; Zaefferer, S. et al.; Neugebauer, J.; Sandlöbes, S.; Gault, B.; Scheu, C.; Roters, F.: From Atomistic Understanding to Engineering Design of Advanced Medium and High Manganese Steels. 4th International Conference on medium and high Manganese steels, Aachen, Germany (2019)
832.
Talk
Ikeda, Y.; Körmann, F.; Neugebauer, J.: Impact of Interstitial Alloying of High Entropy Alloys from First Principles. TMS 2019, San Antonio, TX, USA (2019)
833.
Talk
Neugebauer, J.; Todorova, M.; Grabowski, B.; Hickel, T.: Modelling structural materials in realistic environments by ab initio thermodynamics. Hume-Rothery Award Symposium, TMS2019 Annual Meeting and Exhibition, San Antonio, TX, USA (2019)
834.
Talk
Liebscher, C.; Stoffers, A.; Alam, M.; Lymperakis, L.; Cojocaru-Mirédin, O.; Gault, B.; Neugebauer, J.; Dehm, G.; Scheu, C.; Raabe, D.: Asymmetric Line Segregation at Faceted Si Grain Boundaries. TMS 2019 Annual Meeting & Exhibition, San Antonio, TX, USA (2019)
835.
Talk
Hickel, T.: Application of Density Functional Theory in the Context of Phase Diagram Modelling. MSIT Winter School on Materials Chemistry, Castle Ringberg, Tegernsee (2019)
836.
Talk
Hickel, T.; Zendegani, A.; Körmann, F.; Neugebauer, J.: Energetics of non-stoichiometric stacking faults in Fe–Nb alloys: An ab initio study. TMS 2019 Annual Meeting, San Antonio, TX, USA (2019)
837.
Talk
Neugebauer, J.; Janßen, J.; Körmann, F.; Hickel, T.; Grabowski, B.: Exploiting large ab initio data spaces to design materials. Openning of Christian Doppler Laboratory for nanoscale phase transformations, Linz, Austria (2019)
838.
Talk
Neugebauer, J.; Surendralal, S.; Todorova, M.: Extending First-Principles Calculations to Model Electrochemical Reactions at the Solid-Liquid Interface. Towards Reality in Nanoscale Materials X, Levi, Finnland (2019)
839.
Talk
Neugebauer, J.; Janßen, J.; Körmann, F.; Hickel, T.; Grabowski, B.: Exploration of large ab initio data spaces to design materials with superior mechanical properties. Physics and Theoretical Division Colloquium, Los Alamos, NM, USA (2019)
840.
Talk
Todorova, M.; Yoo, S.-H.; Surendralal, S.; Neugebauer, J.: A fully ab initio approach to electrochemistry and corrosion. CNLS Colloquium, Los Alamos National Laboratory, Los Alamos, NM, USA (2019)
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