讲师

车瑜博士，山西大学讲师。本科毕业于湖南大学化学化工学院，博士就读于英国利物浦大学。师从英国皇家学会院士、中科院外籍院士Andrew I. Cooper，主要研究方向为“AI4Science”。 即使用现代机器学习、深度学习算法，结合计算化学与化学信息学，优化、指导以及预测新的化学、环境材料与理论的研究。包括利用传统机器学习算法与深度学习网络，分析研究多维材料信息;使用贝叶斯算法指导、优化材料与反应条件的筛选;以及使用非线性降维算法进行化学数据库的可视化和在线交互式共享等。其以第一作者（共同第一）在Nature Chemistry、JACS、Chemical Science等杂志发表论文数篇。曾获英国自然与工程基金委员会-IBM联合奖学金。

联系方式：

邮箱:yuche@sxu.edu.cn

代表性论文（第一作者/通讯作者）：

[1] Li, X.,† Che, Y.,† Chen, L., † Liu, T., Vijayakrishnan, S., Wang, K., Liu, L., Yang, H., Pyzer- Knapp, E., Cooper, A.I., Sequential Closed-Loop Bayesian Optimization as a Guide for Organic Molecular Metallophotocatalyst Formulation Discovery. Nature Chemistry, 2024(Accepted).

[2] Yang, H.,† Che, Y.,† Cooper, A.I., Chen, L., Li, X., Machine Learning Accelerated Exploration of Ternary Organic Heterojunction Photocatalysts for Sacrificial Hydrogen Evolution. Journal of the American Chemical Society, 2023, 145 (49), 27038-27044.

[3] Li, X.,† Maffettone, P.M.,† Che, Y.,† Liu, T.,† Chen, L. and Cooper, A.I., Combining machine learning and high-throughput experimentation to discover photocatalytically active organic molecules. Chemical science, 2021,12(32), 10742-10754.

[4] Zhao, C., Chen, L., Che, Y., Pang, Z., Wu, X., Lu, Y., Liu, H., Day, G.M. and Cooper, A.I., Digital navigation of energy–structure–function maps for hydrogen-bonded porous molecular crystals. Na- ture communications, 2021,12(1), 1-11.

[5] Wu, X., Che, Y., Chen, L., Amigues, E., Wang, R., He, J., Dong, H., Ding, L. Mapping the Porous and Chemical Structure–Function Relationships of Trace CH3I Capture by Metal–Organic Frame- works using Machine Learning. ACS Applied Ma- terials & Interfaces, 2022, 14(41), 47209-47221.

[6] Chen, L., Che, Y., Cooper, A. I., & Chong, S. Y. Exploring cooperative porosity in organic cage crystals using in situ diffraction and molecular simulations. Faraday Discussions, 2021, 225, 100-117.