Infusing Self-Consistency into Density Functional Theory Hamiltonian Prediction via Deep Equilibrium Models

Item #:

079017-2846

Details

DOI: https://doi.org/10.52202/079017-2846
Author(s): Lin Huang, Chang Liu, Bin Shao, Zun Wang, Xinran Wei, Lijun Wu, He Zhang, Nianlong Zou
Pages: 89652-89681 (30 pages)
Format: PDF Paper Download
Conference: Advances in Neural Information Processing Systems 37
Date/Location: Held 10-15 December 2024, Vancouver, Canada.
Series: Advances in Neural Information Processing Systems 37
Publisher: Neural Information Processing Systems Foundation, Inc. (NeurIPS)

DOI: https://doi.org/10.52202/079017-2846
Author(s): Lin Huang, Chang Liu, Bin Shao, Zun Wang, Xinran Wei, Lijun Wu, He Zhang, Nianlong Zou
Pages: 89652-89681 (30 pages)
Format: PDF Paper Download
Conference: Advances in Neural Information Processing Systems 37
Date/Location: Held 10-15 December 2024, Vancouver, Canada.
Series: Advances in Neural Information Processing Systems 37
Publisher: Neural Information Processing Systems Foundation, Inc. (NeurIPS)