Talk (40)

61.
Talk
Zhu, L.-F.; Neugebauer, J.; Grabowski, B.: Towards high throughput melting property calculations with ab initio accuracy aided by machine learning potential. CALPHAD L Conference, Cambridge, MA, USA (2023)
62.
Talk
Freysoldt, C.; Wang, N.; Sreekala, L.; Bukka, S. R.; Goyal, P. K.; Liebscher, C.; Saxena, A.; Gault, B.: Pattern discovery and quantification in experimental data from scanning transmission electron tomography (STEM) and atom probe tomography (APT). Big Max Summer School, Cap Roig, Spain (2023)
63.
Talk
Freysoldt, C.: Exploring data-rich materials analytics with machine learning: how and why. Physikalisches Kolloquium, Universität Marburg, Marburg, Germany (2023)
64.
Talk
Todorova, M.; Surendralal, S.; Deißenbeck, F.; Wippermann, S. M.; Neugebauer, J.: Insights into Electrified Solid/Liquid Interfaces from Ab initio and Atomistic Molecular Dynamics Simulations. CECAM - Young Researchers' School on Theory and Simulation in Electrochemical Conversion Processes, Paris, France (2023)
65.
Talk
Zhu, L.-F.: Melting properties from ab initio using efficient TOR-TILD approach: Applications to refractory metals V, W and V–W alloy. CALPHAD XLVIII Conference, Stockholm, Sweden (2023)
66.
Talk
Neugebauer, J.: Utilizing chemical complexity in electrochemistry. Talk at Korea University, Asan Science Building, Seoul, Korea (2023)
67.
Talk
Todorova, M.; Surendralal, S.; Deißenbeck, F.; Wippermann, S. M.; Neugebauer, J.: The role of water at electrified solid/ liquid interfaces under potential control. Germany-Korea On-Site Plenary Discussion on Computational Electrochemistry at Korea University, Seoul, Korea (2023)
68.
Talk
Bitzek, E.: Elastic and Plastic Response of FCC-Metallic Nanostructures under complex Loads. MecaNano General Meeting, Madrid, Spain (2023)
69.
Talk
Neugebauer, J.; Yang, J.; Deißenbeck, F.; Wippermann, S. M.; Todorova, M.: Fully ab initio modeling of electrocatalytic and corrosion phenomena. Korean Physical Society Meeting, Deajeon, Korea (2023)
70.
Talk
Todorova, M.; Yoo, S.-H.; Kim, S.-H.; Gault, B.; Neugebauer, J.: Controlling doping of electrocatalysts though engineering impurities … and the H/Pt/H2O interface. KPS 2023 Conference, Daejeon, Korea (2023)
71.
Talk
Bitzek, E.: Challenges to (Multiscale) Modelling of Fracture in Metals and Alloys. 2nd FRASCAL Symposium, Erlangen, Germany (2023)
72.
Talk
Freysoldt, C.; Hennig, R. G.; Neugebauer, J.: Ab initio calculations of charged defects at surfaces. APS March Meeting 2023, Las Vegas, NV, USA (2023)
73.
Talk
Lakshmipathy, T.: Benchmarking of Tungsten Potentials using Blunted Cracks. DPG (SKM) 2023, Dresden, Germany (2023)
74.
Talk
Neugebauer, J.: Current problems in Materials Sciences. New Mathematics for the Exascale: Applications to Materials Science Tutorials, Los Angeles, CA, USA (2023)
75.
Talk
Neugebauer, J.; Poul, M.; Mathews, P.; Tehranchi, A.; Yang, J.; Todorova, M.; Hickel, T.: Defect phase diagrams: Concepts, computational approaches and applications. DPG-Frühjahrstagung (DPG Spring Meeting), Dresden, Germany (2023)
76.
Talk
Neugebauer, J.; Yang, J.; Todorova, M.; Hickel, T.: Constructing Defect Phase Diagrams from Ab Initio Calculations and CALPHAD Concepts. TMS Annual Meeting and Exhibition, San Diego, CA, USA (2023)
77.
Talk
Ferraz Morgado, F.; Bhatt, S.; Stephenson, L.; Mouton, I.; Neugebauer, J.; Raabe, D.; Freysoldt, C.; Gault, B.; Katnagallu, S.: Role of Simulations and Experiments in Analytical Field Ion Microscopy. Invited Seminar, Hyderabad University, Hyderabad, India (2023)
78.
Talk
Bhatt, S.; Katnagallu, S.; Freysoldt, C.; Neugebauer, J.: DFT study on field ion microscopy contrast. Invited Seminar, Rouen University, Rouen, France (2023)
79.
Talk
Neugebauer, J.: Enabling next-generation materials science simulations by automated workflows. NOMAD CoE Project Meeting, Aalto University, Espoo, Finland (2023)

Conference Report (1)

80.
Conference Report
Ferraz Morgado, F.; Bhatt, S.; Stephenson, L.; Mouton, I.; Neugebauer, J.; Raabe, D.; Freysoldt, C.; Gault, B.; Katnagallu, S.: Role of Simulations and Experiments in Analytical Field Ion Microscopy. Microscopy and Microanalysis 29 (Supplement_1), p. 602 (2023)
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