Monday, March 6, 2023
3:00PM - 3:36PM
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D44.00001: Designing magnesium alloys from density-functional theory and atomistic models
Invited Speaker:
Dallas R Trinkle
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Monday, March 6, 2023
3:36PM - 3:48PM
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D44.00002: Machine learning and Monte Carlo simulations of the Gibbs free energy of the Fe-C system in a magnetic field
Ming Li, Richard G Hennig, Luke Wirth, Dallas R Trinkle, Ajinkya C Hire, Stephen R Xie, Michele Campbell
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Monday, March 6, 2023
3:48PM - 4:00PM
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D44.00003: Computational prediction of the chemical order-disorder phase diagram of FeV
Cesar Diaz, Jorge A Munoz
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Monday, March 6, 2023
4:00PM - 4:12PM
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D44.00004: Large-scale search for stable tin alloys with machine learning potentials
Daviti Gochitashvili, Aidan Thorn, Saba Kharabadze, Aleksey Kolmogorov
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Monday, March 6, 2023
4:12PM - 4:24PM
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D44.00005: First-principles elastic and mechanical properties from Born perturbation expansion
Changpeng Lin, Samuel Poncé, Davide Campi, Nicola Marzari
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Monday, March 6, 2023
4:24PM - 4:36PM
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D44.00006: Mechanism governing electronic charge rearrangements in random alloys
Wai-Ga D Ho, Mariia Karabin, Yang Wang, Markus Eisenbach, George M Stocks, Xianglin Liu, Wasim R Mondal, Hanna Terletska, Ka-Ming Tam, Liviu Chioncel, Vladimir Dobrosavljevic
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Monday, March 6, 2023
4:36PM - 4:48PM
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D44.00007: Electrical resistivity of disordered systems using first-principles LSMS calculations
Vishnu Raghuraman, Markus Eisenbach, Yang Wang, Michael Widom
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Monday, March 6, 2023
4:48PM - 5:00PM
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D44.00008: Action space and features for complex multicomponent alloys and ceramics property prediction with deep reinforcement learning
Artem Pimachev, Sanghamitra Neogi
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Monday, March 6, 2023
5:00PM - 5:12PM
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D44.00009: Multi-objective optimization of High-entropy alloy properties
Franco Moitzi, Oleg E Peil, Max Hodapp, Lorenz Romaner
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Monday, March 6, 2023
5:12PM - 5:24PM
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D44.00010: Efficient generation of doped crystal structure model by combinatorial mathematics
Ryo Maezono, Genki I Prayogo, Andrea Tirelli, Keishu Uchimura, Kenta Hongo, Kousuke Nakano
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