Wednesday, March 6, 2024
3:00PM - 3:36PM
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Q60.00001: Machine-learning for electronic structure
Invited Speaker:
Michele Ceriotti
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Wednesday, March 6, 2024
3:36PM - 3:48PM
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Q60.00002: Applying a Well-Defined Energy Density for Machine-Learned Density Functionals
Elias Polak, Stefan Vuckovic, Heng Zhao
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Wednesday, March 6, 2024
3:48PM - 4:00PM
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Q60.00003: Electronic Structures of Mesoscopic Systems: Unlocking Opportunities with Machine Learning and Orbital-Free Embedding
Michele Pavanello
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Wednesday, March 6, 2024
4:00PM - 4:12PM
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Q60.00004: Pushing deep neural quantum states toward machine precision
Ao Chen, Markus Heyl
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Wednesday, March 6, 2024
4:12PM - 4:24PM
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Q60.00005: Improving neural network performance for solving quantum sign structure
Xiaowei Ou, Vidvuds Ozolins
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Wednesday, March 6, 2024
4:24PM - 4:36PM
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Q60.00006: Spectral operator representations
Austin Zadoks, Nicola Marzari, Antimo Marrazzo
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Wednesday, March 6, 2024
4:36PM - 4:48PM
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Q60.00007: Nonlocal neural-network distillation of many-electron density functional theory
Matija Medvidović, Iman Ahmadabadi, Jaylyn C Umana, Domenico Di Sante, Johannes Flick, Angel Rubio
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Wednesday, March 6, 2024
4:48PM - 5:00PM
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Q60.00008: Automatic differentiation approach for obtaining exchange-correlation functional derivatives
Jaylyn C Umana, Matija Medvidović, Angel Rubio, Johannes Flick
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Wednesday, March 6, 2024
5:00PM - 5:12PM
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Q60.00009: Predicting Quantum Monte Carlo Charge Densities using Graph Neural Networks
Panchapakesan Ganesh, Abdulgani Annaberdiyev, Fan Shu, Victor Fung
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Wednesday, March 6, 2024
5:12PM - 5:24PM
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Q60.00010: Simple and Effective: Machine Learning-Driven Nonlocal Functionals for Orbital-Free DFT
Valeria Rios Vargas, Xuecheng Shao, Michele Pavanello
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Wednesday, March 6, 2024
5:24PM - 5:36PM
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Q60.00011: Accelerating electronic structure calculations using an E(3)-equivariant neural network
Xiaoxun Gong, He Li, Steven G Louie, Wenhui Duan, Yong Xu
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Wednesday, March 6, 2024
5:36PM - 5:48PM
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Q60.00012: Comparing variants of Neural Network Backflow and Hidden Fermion Determinant States
Zejun Liu, Bryan K Clark
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