O 42: Poster Session III: Poster to Mini-Symposium: Machine learning applications in surface science I
Tuesday, March 2, 2021, 10:30–12:30, P
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10:30 |
O 42.1 |
Learning electron densities in condensed phase space — •Alan Lewis, Andrea Grisafi, Michele Ceriotti, and Mariana Rossi
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10:30 |
O 42.2 |
A fourth-generation high-dimensional neural network potential — •tsz wai ko, jonas a. finkler, stefan goedecker, and jörg behler
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10:30 |
O 42.3 |
Neural Network Analysis of Neutron and X-Ray Reflectivity Data: Pathological Cases, Performance and Perspectives — •Alessandro Greco, Vladimir Starostin, Alexander Hinderhofer, Alexander Gerlach, Maximilian Skoda, Stefan Kowarik, and Frank Schreiber
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10:30 |
O 42.4 |
Analysis of grazing-incidence wide-angle X-ray scattering by neural networks — •Vladimir Starostin, Alessandro Greco, Alina Pleli, Alexander Hinderhofer, Alexander Gerlach, and Frank Schreiber
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10:30 |
O 42.5 |
Symmetry-Equivariant Representations of Ab Initio Hamiltonians for Machine Learning Purposes — •Michael Luya and Reinhard Maurer
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10:30 |
O 42.6 |
Active Discovery of Organic Semiconductors — •Christian Kunkel, Johannes T. Margraf, Ke Chen, Harald Oberhofer, and Karsten Reuter
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10:30 |
O 42.7 |
Ab initio structure search of flexible molecules at interfaces — •Dmitrii Maksimov and Mariana Rossi
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10:30 |
O 42.8 |
IrO2 surface complexions identified through machine-learned interatomic potentials — •Jakob Timmermann, Yonghyuk Lee, Carsten Staacke, Christoph Scheurer, and Karsten Reuter
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10:30 |
O 42.9 |
The data-driven search of new catalysts for an OCM reaction based on the properties of surface carbonates — •Aliaksei Mazheika, Frank Rosowski, and Ralph Kraehnert
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