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MM 59: Computational Materials Modelling - Potentials
Donnerstag, 19. März 2020, 15:45–17:15, IFW A
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15:45 |
MM 59.1 |
A platform for the validation of interatomic potentials — •Yury Lysogorskiy, Thomas Hammerschmidt, and Ralf Drautz
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16:00 |
MM 59.2 |
Machine-learned density-functional tight-binding: Enabling high-quality electronic structure calculations on systems too large for DFT — •Simon Anniés, Chiara Panosetti, Christoph Scheurer, and Karsten Reuter
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16:15 |
MM 59.3 |
Machine Learning Augmented Density Functional Tight Binding Theory — •Adam McSloy, Benjamin Hourahine, David Yaron, and Reinhard J. Maurer
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16:30 |
MM 59.4 |
Towards transferable parametrization of Density-Functional Tight-Binding with machine learning — •Leonardo Medrano Sandonas, Martin Stöhr, and Alexandre Tkatchenko
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16:45 |
MM 59.5 |
Anharmonic phonons at elevated temperatures in Al — •Michael Leitner and Albert Glensk
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17:00 |
MM 59.6 |
Comparative Study of Interatomic Potentials for Atomistic Simulations of Sintering of α-Alumina — •Arun Prakash, Shyamal Roy, and Stefan Sandfeld
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