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个人信息Personal Information
教授
博士生导师
硕士生导师
性别：男
毕业院校：清华大学
学位：博士
所在单位：化工学院
学科：化学工程
办公地点：西部校区化工实验楼D203
电子邮箱：keleiz@dlut.edu.cn
扫描关注
- [1]Ren, Zehua, Ji, Sibei, Zheng, Xinyu, Zhou, Li, Chai, Shiyang, 张磊, Xu.Computer-Aided Silicone Rubber Polymer Design Based on Connectivity Index and Molecular Dynamics ...[J],Industrial and Engineering Chemistry Research,2024
- [2]赵雨靓, 张利, 王贺双, 张磊, 都健, 孟庆伟, Sun, Liang, 刘奇磊.Mixture-of-Experts Based Dissociation Kinetic Model for De Novo Design of HSP90 Inhibitors with P...[J],Journal of Chemical Information and Modeling,2024
- [3]徐晨阳, 郭丽娟, Zhou, Kang, Yu, Hai, Wei, Chaoliang, Fan, Fengqi, 张磊.RSscore: Reaction superiority learned from reaction mapping hypergraph[J],CHINESE JOURNAL OF CHEMICAL ENGINEERING,2024,74:203-215
- [4]Tang, Jie, 董亚超, 张磊, 孟庆伟, 都健, Zeng, Shijun, Ni, Yan, Shi, Hao.基于 CFD 模拟与数学规划法的熔融聚合物流动管道设计优化[J],Journal of Chemical Engineering of Chinese Universities,2024,38(4):652-662
- [5]赵雨靓, 刘奇磊, 都健, 孟庆伟, 张磊.Machine learning methods for developments of binding kinetic models in predicting protein‐ligand...[J],Smart Molecules,2024,1(3)
- [6]Zhao, Yujing, 刘奇磊, 都健, 孟庆伟, Sun, Liang, 张磊.Accelerating Factor Xa inhibitor discovery with a de novo drug design pipeline[J],CHINESE JOURNAL OF CHEMICAL ENGINEERING,2024,72:85-94
- [7]Wang, Wenlong, Xu, Chenyang, 都健, 张磊.Developing deep learning-based large-scale organic reaction classification model via sigma-profil...[J],2024
- [8]吴国訢, 刘奇磊, 都健, 孟庆伟, 张磊.A deep learning-based energy and force prediction framework for high-throughput quantum chemistry...,2024,53:715-720
- [9]唐坤, 张磊, 孟庆伟, 都健, 刘奇磊.TSeC: an efficient transition state search tool driven by machine learning potential[J],2024,53:3355-3360
- [10]车昕昊, 刘奇磊, Yu, Fang, 张磊.Computer-Aided Drug Screening Based on the Binding Site Selectivity of ACE2: Machine Learning, Do...,2024,53:2431-2436
- [11]Zhao, Yujing, 刘奇磊, 庄钰, 董亚超, 刘琳琳, 都健, 孟庆伟, 张磊.Hybrid deep learning model for evaluations of protein-ligand binding kinetic property[J],2024,53:259-264
- [12]Guo, Wenjing, 柴士阳, 张磊, 都健.Computer-Aided Design of Crosslinked Polymer Membrane Using Machine Learning and Molecular Dynami...[J],Chemie-Ingenieur-Technik,2024,95(3):447-457
- [13]洪辉泉, 邢雅枫, 庄钰, 张磊, 刘琳琳, 都健.A superstructure-based approach for integrating work-heat within hydrogen allocation network cons...[J],Chemical Engineering Research and Design,2024,192:110-127
- [14]洪辉泉, 邢雅枫, 庄钰, 张磊, 刘琳琳, 都健.A superstructure-based approach for integrating work-heat within hydrogen allocation network cons...[J],Chemical Engineering Research and Design,2024,192:110-127
- [15]王文龙, 刘奇磊, 董亚超, 都健, 孟庆伟, 张磊.ConvPred: A deep learning-based framework for predictions of potential organic reactions[J],AICHE JOURNAL,2024,69(5)
- [16]刘奇磊, 唐坤, 张磊, 都健, 孟庆伟.Computer-assisted synthetic planning considering reaction kinetics based on transition state auto...[J],AIChE Journal,2024,69(7)
- [17]周康, 王建新, 车昕昊, 于海, 魏朝良, 范丰奇, 张磊.基于分子动力学模拟的矿物基础油泡沫破裂性能研究[J],化工学报,2024,75(04):1668-1678
- [18]Tong, Yi, 陶然, 董亚超, 张磊, 刘琳琳, 都健, Shu, Mou, Li, Mingxin, Liu, Yingwei, Zhou, Congcong, Zhao, You, Guoxing.A neural network-based production process modeling and variable importance analysis approach in c...[J],Frontiers of Chemical Science and Engineering,17(3):358-371
- [19]唐坤, 庄钰, Wang, Wenlong, 刘奇磊, 张磊, 都健, 孟庆伟.GC-NORM-based thermodynamic framework for evaluations of organic reactions involving carbon dioxi...[J],Chemical Engineering Science,278
- [20]顾诗亚, 董亚超, 刘琳琳, 张磊, 庄钰, 都健.考虑中间节点的碳捕集管路系统设计与优化[J],Chemical Industry and Engineering Progress,2024,42(6):2799-2808