Zun Wang, Chang Liu, Nianlong Zou, He Zhang, Xinran Wei, Lin Huang, Lijun Wu, Bin Shao. Infusing Self-Consistency into Density Functional Theory Hamiltonian Prediction via Deep Equilibrium Models. In Amir Globersons, Lester Mackey, Danielle Belgrave, Angela Fan, Ulrich Paquet, Jakub M. Tomczak, Cheng Zhang 0005, editors, Advances in Neural Information Processing Systems 38: Annual Conference on Neural Information Processing Systems 2024, NeurIPS 2024, Vancouver, BC, Canada, December 10 - 15, 2024. 2024. [doi]
Abstract is missing.