Berlin 2024 –
wissenschaftliches Programm
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
|
|
|
