Shuxin Zheng

Mar 10, 2024 | nature.com | Siyuan Liu |Chang Liu |Shuxin Zheng

AbstractOrbital-free density functional theory (OFDFT) is a quantum chemistry formulation that has a lower cost scaling than the prevailing Kohn–Sham DFT, which is increasingly desired for contemporary molecular research. However, its accuracy is limited by the kinetic energy density functional, which is notoriously hard to approximate for non-periodic molecular systems. Here we propose M-OFDFT, an OFDFT approach capable of solving molecular systems using a deep learning functional model.

Jan 18, 2024 | journals.plos.org | Mengqi Liu |Fujian Agriculture |Shuxin Zheng

Citation: Liu M, Yang H, Zheng S (2024) Index construction and application of digital transformation in the insurance industry: Evidence from China. PLoS ONE 19(1): e0296899. https://doi.org/10.1371/journal.pone.0296899Editor: Xingwei Li, Sichuan Agricultural University, CHINAReceived: May 8, 2023; Accepted: December 13, 2023; Published: January 18, 2024Copyright: © 2024 Liu et al.

Jul 7, 2023 | microsoft.com | Shuxin Zheng |Chang Liu |Yu Shi |Ziheng Lu

Structure prediction is a fundamental problem in molecular science because the structure of a molecule determines its properties and functions. In recent years, deep learning methods have made remarkable progress and impact on predicting molecular structures, especially for protein molecules.