张磊
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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：
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- [1]齐妍.张磊.常昊.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 Reactive Machine Learning Potential[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 and mathematical programming methods[J],Chinese Journal of Chemical Engineering,2025,84:11-22
- [4]Chai, Shiyang.Ren, Zehua,Ji, Sibei,Zheng, Xinyu,Zhou, Li,张磊,Ji, Xu.Exploring the Influence of Solvation on Multidimensional Particle Size Distribution Based on the Spiral Growth Model and the Lattice Boltzmann Method[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 fragrance[J],Computers and Chemical Engineering,2024,192
- [6]Ren, Zehua.Ji, Sibei,Zheng, Xinyu,Zhou, Li,Chai, Shiyang,张磊,Ji, Xu.Computer-Aided Silicone Rubber Polymer Design Based on Connectivity Index and Molecular Dynamics Methods[J],Industrial and Engineering Chemistry Research,2024
- [7]赵雨靓.张磊,都健,孟庆伟,Sun, Liang,刘奇磊.张利,王贺双.Mixture-of-Experts Based Dissociation Kinetic Model for De Novo Design of HSP90 Inhibitors with Prolonged Residence Time[J],Journal of Chemical Information and Modeling,2024
- [8]徐晨阳.Zhou, Kang,Yu, Hai,Wei, Chaoliang,Fan, Fengqi,张磊.郭丽娟.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 dissociation rate constants[J],Smart Molecules,2024,1(3)