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Berlin 2024 – wissenschaftliches Programm

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MM: Fachverband Metall- und Materialphysik

MM 20: Data Driven Material Science: Big Data and Workflows III

Dienstag, 19. März 2024, 10:15–13:00, C 243

10:15 MM 20.1 Bulk and Surface Properties of cesium-telluride Photocathode Materials via High-Throughput Density Functional Theory Calculations — •Holger-Dietrich Saßnick and Caterina Cocchi
10:30 MM 20.2 Thermodynamic and phonon properties of multi-alkali antimonides from density-functional theory and machine learning — •Julia Santana-Andreo, Holger-Dietrich Saßnick, and Caterina Cocchi
10:45 MM 20.3 Energetic and electronic properties of K-Sb and Na-Sb binary crystals from high-throughput ab initio calculations — •Richard Schier, Holger-Dietrich Saßnick, and Caterina Cocchi
11:00 MM 20.4 Predicting Equilibrium Pressure for Hydrogen Storage: A Cheminformatics Approach Using Deep Neural Networks — •Sinan S. Faouri, Kai Sellschopp, Paul Jerabek, and Claudio Pistidda
11:15 MM 20.5 Peeling back the layers; Incorporating Dispersion Interactions and Quantum Mechanics at Clay Mineral Interfaces. — •Sam Shepherd, Gareth. A Tribello, and David. M Wilkins
  11:30 15 min. break
11:45 MM 20.6 Experiment-driven atomistic materials modeling: Combining XPS and MLPs to infer the structure of a-COx — •Tigany Zarrouk and Miguel Caro
12:00 MM 20.7 Exploring high-entropy alloy transport properties through the lens of machine learning — •Ruiwen Xie, Ye Wei, Bo Peng, Jiamu Liu, Liuliu Han, and Hongbin Zhang
  12:15 MM 20.8 The contribution has been moved to MM 45.2.
12:30 MM 20.9 Influence of the neighboring phases of MnS inclusions on damage accumulation in case-hardening steel — •Clara Reinhart, Tom Reclik, Maximilian A. Wollenweber, Ulrich Kerzel, Talal Al-Samman, and Sandra Korte-Kerzel
12:45 MM 20.10 High-throughput damage quantification in steel and opportunities for damage-controlled forming processes — •Maximilian A. Wollenweber, Jannik Gerlach, Tom Reclik, Clara Reinhart, Sebastian Münstermann, Talal Al-Samman, and Sandra Korte-Kerzel
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