刘艺炜，女，讲师，理学博士，硕士生导师，制药工程教研室。核心研究方向聚焦于多尺度计算模拟与机器学习交叉领域，系统研究生物、化学、材料体系的核心物理化学性质；同时开展功能导向的分子生成设计，以及密度泛函新方法的开发与验证，提升复杂体系的计算精度与效率。目前主持国家自然科学基金青年科学基金项目（C类）一项。
论文发表情况：
1. Y.W. Liu, C. Zhang, Z. Liu, D. G. Truhlar*, Y. Wang*, and X. He*, Supervised Learning of a Chemistry Functional with Damped Dispersion. Nature Computational Science 2023, 3, 48 .
2. Y.W. Liu, J. Liu*, X. He*, Different pKa Shifts of Internal GLU8 in Human β-endorphin Amyloid Reveals a Coupling of Internal Ionization and Stepwise Fibril Disassembly. J. Phys. Chem. B 2023(“Early-Career & Emerging Researchers in Physical Chemistry Volume 2”).
3. N.F. Kleimeier#, Y.W. Liu#, A.M. Turner, L.A. Young, C.H. Chin, T. Yang*, X. He*, J.I. Lo, B.M. Cheng, R.I. Kaiser*, Excited State Photochemically Driven Surface Formation of Benzene from Acetylene Ices on Pluto and in the Outer Solar System. Phys. Chem. Chem. Phys. 2022, 24, 1424.
4. D.H. Dai#, X.W. Wang#, Y.W. Liu, X.L. Yang, C. Glaubitz, V. Denysenkov, X. He*, T. Prisner and J.F. Mao*, Room- Temperature dynamic nuclear polarization enhanced NMR Spectroscopy of Small Biological Molecules in Water. Nat. Commun. 2021, 12, 6880.
5. Y.C., Wu; X. Lian; S. Tao; J.J. Wu*; Y.W. Liu*; F.H. Wu*; F-Site:Recognizing Fluorination Patterns in Small-Molecule Drugs via a Two-Stage Transformer-Based Model, J. Chem. Inf. Model. 2025, 65: 12331-12341.
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