He Zhang, Siyuan Liu, Jiacheng You, Chang Liu 0030, Shuxin Zheng, Ziheng Lu, Tong Wang 0014, Nanning Zheng 0001, Bin Shao. Overcoming the barrier of orbital-free density functional theory for molecular systems using deep learning. Nat. Comput. Sci., 4(3):210-223, 2024. [doi]
Abstract is missing.