Friday, March 18, 2022
8:00AM - 8:12AM
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Y32.00001: Data-driven estimation of transfer integrals in undoped cuprates
Denys Y Kononenko, Ulrich K Rößler, Jeroen van den Brink, Oleg Janson
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Friday, March 18, 2022
8:12AM - 8:24AM
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Y32.00002: High-Throughput Screening of Semiconductors for Artificial Photosynthesis with Data-Mining and First Principles Calculations
Sean M Stafford, Jose L Mendoza-Cortes, Alexander Aduenko, Jose L Mendoza-Cortes
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Friday, March 18, 2022
8:24AM - 8:36AM
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Y32.00003: Accelerated materials discovery of complex multicomponent alloys and ceramics with deep reinforcement learning
Artem Pimachev
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Friday, March 18, 2022
8:36AM - 8:48AM
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Y32.00004: A neural network potential for high throughput screening of the energetics and thermodynamical stabilities of non-stoichiometric Chromium Sulfides
Akram Ibrahim, Daniel Wines, Can Ataca
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Friday, March 18, 2022
8:48AM - 9:00AM
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Y32.00005: Predicting oxygen vacancy formation energy in metal oxides
Bianca Baldassarri, Christopher M Wolverton
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Friday, March 18, 2022
9:00AM - 9:12AM
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Y32.00006: Superconductor and Critical Temperature Predictions Using Machine Learning
Benjamin W Roter, Sasa V Dordevic, Nemanja Ninkovic
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Friday, March 18, 2022
9:12AM - 9:24AM
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Y32.00007: Crystal Diffusion Variational Autoencoder for Periodic Material Generation
Tian Xie, Xiang Fu, Octavian Ganea, Regina Barzilay, Tommi S Jaakkola
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Friday, March 18, 2022
9:24AM - 9:36AM
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Y32.00008: Predicting elastic properties of crystal structures using rotationally equivariant graph neural networks
Teerachote Pakornchote, Annop Ektarawong, Thiparat Chotibut
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Friday, March 18, 2022
9:36AM - 9:48AM
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Y32.00009: Machine learning to establish zero point energy as a screening parameter for identifying vibrationally stable perovskites
Krishnaraj Kundavu, Amrita Bhattacharya, Suman Mondal, Souvik Hui, Rushikesh Rathod
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