Enhancing the Scalability and Applicability of Kohn-Sham Hamiltonians for Molecular Systems. - Yunyang Li; Zaishuo Xia; Lin Huang; Xinran Wei; Samuel Harshe; Han Yang; Erpai Luo; Zun Wang; Jia Zhang 004; Chang Liu 030; Bin Shao; Mark Gerstein (ICLR, 2025)

Enhancing the Scalability and Applicability of Kohn-Sham Hamiltonians for Molecular Systems. - Yunyang Li; Zaishuo Xia; Lin Huang; Xinran Wei; Han Yang; Sam Harshe; Zun Wang; Chang Liu 030; Jia Zhang 004; Bin Shao; Mark B. Gerstein (CoRR, 2025)