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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
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- [1]齐妍, 常昊, 张磊.基于分子动力学模拟的结构性产品配方设计方法[J],Chemical Industry and Engineering Progress,2025,44(8):4341-4351
- [2]唐坤, 赵雨靓, 张磊, 都健, 孟庆伟, 刘奇磊, Liu, Qilei.Accelerating Transition State Search and Ligand Screening for Organometallic Catalysis with React...[J],JOURNAL OF CHEMICAL THEORY AND COMPUTATION,2025
- [3]赵玉静, 刘奇磊, 都健, 孟庆伟, Sun, Liang, 张磊.High-throughput and intelligent design of potential GRK2 inhibitor candidates using deep learning...[J],Chinese Journal of Chemical Engineering,2025,84:11-22
- [4]Chai, Shiyang, Ren, Zehua, Ji, Sibei, Zheng, Xinyu, Zhou, Li, 张磊, Xu.Exploring the Influence of Solvation on Multidimensional Particle Size Distribution Based on the ...[J],INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,2024,63(47):20633-20650
- [5]Qi, Yan, Zhao, Lifeng, Tang, Haiqiu, 张磊, Gani, Rafiqul.Computer aided formulation design based on molecular dynamics simulation: Detergents with fragran...[J],Computers and Chemical Engineering,2024,192
- [6]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
- [7]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
- [8]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
- [9]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
- [10]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)
- [11]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
- [12]Wang, Wenlong, Xu, Chenyang, 都健, 张磊.Developing deep learning-based large-scale organic reaction classification model via sigma-profil...[J],2024
- [13]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
- [14]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
- [15]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
- [16]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
- [17]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
- [18]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
- [19]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
- [20]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)