Enhancing the Scalability and Applicability of Kohn-Sham Hamiltonians for Molecular Systems

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Yunyang Li, Zaishuo Xia, Lin Huang, Xinran Wei, Samuel Harshe, Han Yang, Erpai Luo, Zun Wang, Jia Zhang, Chang Liu, Bin Shao, Mark Gerstein

Published: 2025, Last Modified: 06 Jan 2026ICLR 2025EveryoneRevisionsBibTeXCC BY-SA 4.0