Talk (38)

61.
Talk
Neugebauer, J.; Menon, S.: Maximizing High-Throughput Discovery and Machine Learning Efficiency Through Computational Workflows. Machine Learning Modalities for Materials science, Ljubljana, Slovenia (2024)
62.
Talk
Todorova, M.; Yang, J.; Surendralal, S.; Yoo, S.-H.; Deißenbeck, F.; Wippermann, S. M.; Neugebauer, J.: Insights into Atomistic Processes at Electrified Solid/Liquid Interfaces from Ab Initio Calculations. 245th ECS Meeting, San Francisco, CA, USA (2024)
63.
Talk
Neugebauer, J.; Tehranchi, A.; Mathews, P.; Yang, J.; Todorova, M.; Hickel, T.: Metastable Defect Phase Diagrams as a road map for defect design. FLAIR Colloquium talk, Technical University Darmstadt, Darmstadt, Germany (2024)
64.
Talk
Todorova, M.; Yoo, S.-H.; Yang, J.; Surendralal, S.; Deißenbeck, F.; Wippermann, S. M.; Neugebauer, J.: First-principles modelling of electrified solid-liquid interfaces – from reaction mechanisms to synthesis. First-principles modeling and machine learning approaches in simulations of technologically relevant materials, Linköping, Sweden (2024)
65.
Talk
Bitzek, E.; Eggle-Sievers, B.: Screw Dislocations and Crack-Tip Plasticity in Tungsten: an Atomistic Study. Colloque Plasticité, Marseille, France (2024)
66.
Talk
Freysoldt, C.; Saxena, A.; Wang, N.; Sreekala, L.; Saikia, U.: Perspectives for machine learning applied to data-rich experiments on complex materials. Kolloquium Transregio 270 at Universität Duisburg-Essen, Duisburg, Germany (2024)
67.
Talk
Bitzek, E.: An atomistic Perspective on Fracture Toughness of inorganic Materials. FRASCAL Colloquium, Erlangen, Germany (2024)
68.
Talk
Feng, S.; Gong, Y.; Neugebauer, J.; Raabe, D.; Liotti, E.; Grant, P. S.: Multi-technique investigation of Fe-rich intermetallic compounds for more impurity-tolerant Al alloys. Annual Meeting of DPG and DPG-Frühjahrstagung (DPG Spring Meeting) of the Condensed Matter Section (SKM) 2024, Berlin, Germany (2024)
69.
Talk
Neugebauer, J.; Tehranchi, A.; Mathews, P.; Yang, J.; Todorova, M.; Hickel, T.: Metastable Defect Phase Diagrams as a road map for defect design. TMS Annual Meeting, Orlando, FL, USA (2024)
70.
Talk
Todorova, M.; Surendralal, S.; Yang, J.; Deißenbeck, F.; Wippermann, S. M.; Neugebauer, J.: Ab initio insights into atomistic processes at electrified solid/liquid interface. DPG Spring Meeting, Berlin, Germany (2024)
71.
Talk
Todorova, M.; Surendralal, S.; Yang, J.; Neugebauer, J.: Using ab initio calculations to unravel atomistic processes at electrified solid/ liquid interfaces. 63rd Sanibel Symposium, St. Augustine, FL, USA (2024)
72.
Talk
Neugebauer, J.; Deißenbeck, F.; Wippermann, S. M.; Todorova, M.: Discovery of Fundamental Reaction Mechanisms at Electrochemical Interfaces by Quantum Simulations. 63rd Sanibel Symposium, St. Augustine, FL, USA (2024)
73.
Talk
Zhu, L.-F.: Method developments on melting property calculations and further applications. 4th German-Austrian Workshop, Kirchdorf, Austria (2024)

Poster (5)

74.
Poster
Meier de Andrade, A.; Bitzek, E.: Fracture in the Presence of Hydrogen - Influence of the Potential. The 11th International Conference on Multiscale Materials Modeling, Prague, Czech Republic (2024)
75.
Poster
Meier de Andrade, A.; Bitzek, E.: Fracture in the Presence of Hydrogen - Influence of the Potential. The XXII Brazilian Materials Research Society (B-MRS) Meeting 2024, Santos, Brazil (2024)
76.
Poster
Schwarz, T.; Yang, J.; Aota, L. S.; Woods, E.; Zhou, X.; Neugebauer, J.; Todorova, M.; McCaroll, I.; Gault, B.: Analysis of the reactive solid-liquid interface during the corrosion of magnesium at the near atomic level using cryo-atom probe tomography. Aqueous Corrosion Gordon Research Conference (GRC) 2024, Corrosion Challenges and Opportunities for the Energy Transition, New London, CT, USA (2024)
77.
Poster
Schwarz, T.; Yang, J.; Aota, L. S.; Woods, E.; Zhou, X.; Neugebauer, J.; Todorova, M.; McCaroll, I.; Gault, B.: Analysis of the reactive solid-liquid interface during the corrosion of magnesium at the near atomic level using cryo-atom probe tomography. Aqueous Corrosion Gordon Research Seminar (GRS) 2024, Corrosion Monitoring, Modelling and Mitigation Towards a Sustainable Future, New London, CT, USA (2024)
78.
Poster
Zhu, L.-F.; Neugebauer, J.; Grabowski, B.: A computationally highly efficient ab initio approach for melting property calculations and practical applications. CALPHAD 2024, Mannheim, Germany (2024)

Teaching (3)

79.
Teaching
Bitzek, E.: Atomisitc Modeling of Mechanical Behavior. Lecture: Lecture and Computational Lab-Course, SS24, 4SWS, FAU Erlangen-Nürnberg, April 25, 2024 - July 29, 2024
80.
Teaching
Neugebauer, J.: Application and Implementation of Electronic Structure Methods. Lecture: WS 2024/2025, Ruhr-Universität Bochum, 2024-10 - 2025-02
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