MM 29: Data Driven Materials Science: Design of Functional Materials
Donnerstag, 8. September 2022, 10:15–11:30, H45
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10:15 |
MM 29.1 |
Investigations of the Polysulfide Conversion Mechanism via Gaussian Approximation Potentials — •Xu Han, Carsten G. Staacke, Hendrik H. Heenen, Xuefei Xu, and Karsten Reuter
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10:30 |
MM 29.2 |
Accelerating the High-Throughput Search for new Thermal Insulators with Symbolic Regression — •Thomas Purcell, Matthias Scheffler, Luca M. Ghiringhelli, and Christian Carbogno
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10:45 |
MM 29.3 |
Uncertainty Modelling for Property Prediction of Double Perovskites — •Simon Teshuva, Mario Boley, Felix Luong, Lucas Foppa, and Matthias Scheffler
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11:00 |
MM 29.4 |
The contribution has been withdrawn.
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11:15 |
MM 29.5 |
Predicting oxidation and spin states by high-dimensional neural networks — •Knut Nikolas Lausch, Marco Eckhoff, Peter Blöchl, and Jörg Behler
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