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Physical Review Letters|February 22, 2026
Ab Initio Bulk Free Energy Surface of Proper FerroelectricsPinchen Xie, Yixiao Chen, Xinyu Xu, et al.The Journal of Chemical Physics|March 9, 2021
Deep potential generation scheme and simulation protocol for the Li10GeP2S12-type superionic conductorsJianxing Huang, Linfeng Zhang, Han Wang, et al.The Journal of Chemical Physics|January 16, 2022
Accurate parameterization of the kinetic energy functionalShashikant Kumar, Edgar Landinez Borda, Babak Sadigh, et al.Nature Communications|August 8, 2024
Deep learning tight-binding approach for large-scale electronic simulations at finite temperatures with ab initio accuracyQiangqiang Gu, Zhanghao Zhouyin, Shishir Kumar Pandey, et al.The Journal of Chemical Physics|April 2, 2022
A deep potential model with long-range electrostatic interactionsLinfeng Zhang, Han Wang, Maria Carolina Muniz, et al.Angewandte Chemie (International Ed. in English)|April 19, 2024
Machine Learning Molecular Dynamics Shows Anomalous Entropic Effect on Catalysis through Surface Pre-melting of NanoclustersFu-Qiang Gong, Yun-Pei Liu, Ye Wang, et al.Research (Washington, D.C.)|August 27, 2025
Ab Initio Accuracy Neural Network Potential for Drug-Like MoleculesManyi Yang, Duo Zhang, Xinyan Wang, et al.Proteomics|August 29, 2025
TDEase: An Open-Source Data Visualization Software Framework for Targeted Proteoform Characterization by Top-Down ProteomicsYucheng Liao, Rui Qian, Mengting Zhang, et al.Nature Communications|April 2, 2026
NMR-Solver: automated structure elucidation via large-scale spectral matching and physics-guided fragment optimizationYongqi Jin, Jun-Jie Wang, Fanjie Xu, et al.Journal of Medical Internet Research|August 8, 2025
Attitudes, Perceptions, and Factors Influencing the Adoption of AI in Health Care Among Medical Staff: Nationwide Cross-Sectional Survey StudyQianqian Dai, Ming Li, Maoshu Yang, et al.Pageof 7