张磊

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D408

电子邮箱:keleiz@dlut.edu.cn

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个人简介Personal Profile

张  磊    博士    教授    士生导师  硕士生导师    未来技术学院院长助理


Email: keleiz@dlut.edu.cn

专业:化学工程

地址:辽宁省大连市大连理工大学西部校区化工实验楼D408室/未来技术学院242

ORC ID: https://orcid.org/0000-0002-7519-2858


研究团队


博士后:

(1)刘奇磊

博士生:

(1)赵雨靓;(2)车昕昊;(3)唐坤

硕士生:

(1)徐晨阳;(2)向晟;(3)王建新;(4)吴国訢;(5)郭丽娟;(6)齐妍;(7)宋英杰

已毕业:

(1)梁馨元(硕士,2019P&G(2)毛海涛(硕士,2020大连理工大学优秀硕士学位论文ABB(3)庞俊卿(硕士,2020,烟台万华)(4)仪桐辛(硕士,2021,东方电气)(5)赵红庆(硕士,2021,比亚迪)(6)刘奇磊(博士,2021,大连理工大学);(7) 王璐(硕士,2022,长春一汽);(8)郭雯静(硕士,2022,上海交大读博);(9)覃渫兰(硕士,2022,成都一汽);(10)柴士阳(博士,2022,四川大学);(11)王文龙(硕士,2023大连理工大学优秀硕士学位论文新加坡国立大学读博;(12)齐书平(硕士,2023比亚迪;(13)吴心远(硕士,2023大连理工大学优秀硕士学位论文浙江大学读博


教育科研经历


·   2023.12~至今 大连理工大学化工学院 教授

·   2017.3~2023.12 大连理工大学化工学院 副教授

·   2016.1~2017.3 香港科技大学化工系 博士后(导师:吴嘉名 教授)

·   2014.9~2015.12 丹麦技术大学化工系 博士后(导师:Prof. Rafiqul Gani

·   2013.8~2014.2 卡内基梅隆大学化工系 访问学者(导师:Prof. Ignacio E. Grossmann

·   2009.9~2014.7 清华大学化工系 博士研究生(导师:陈丙珍 院士)

·   2005.9~2009.7 清华大学化工系 本科


研究方向


·   化工过程与产品设计

·   化工过程优化

·   多尺度模型建模与求解

·   能量系统优化


科研情况


张磊,大连理工大学化工系统工程研究所教授,博士生导师、硕士生导师,未来技术学院院长助理。研究工作获首届过程系统工程青年科技奖2019Computers & Chemical Engineering期刊2017Best Paper Award国内首位)、RINENG Young Investigator Award2023)、大连市青年科技之星(2021)、大连理工大学第五批星海骨干。任Current Opinion in Chemical Engineering客座编委、中国系统工程学会过程系统工程专业委员会委员。获国家自然科学基金面上项目2项、青年项目1,主持6项企业项目。发表论文140篇,被引2400次,H-index29Google学术)。次受邀重要学术会议报告,连续多年任欧洲计算机辅助过程工程会议(ESCAPE)学术委员会委员、中国过程系统工程年会分会场主席。是ACS Sustainable Chemistry & EngineeringAIChE JournalChemical Engineering ScienceIndustrial & Engineering Chemistry Research等知名期刊审稿人。教学方面,主讲《化工过程分析与合成》(含国际班)(32学时)(获批教育部首批国家级一流本科课程(4/5))、《化工原理B》(40+32学时)、《化工过程与设备课程设计1》(48学时),是全国石油和化工教育优秀教学团队成员(11/14)、获中国石油和化工教育教学优秀成果二等奖(11/11)。


纵向科研项目


·   基于深度学习的药物合成路径设计方法研究(22278053), 2023.1~2026.12, 国家自然科学基金面上项目, 主持, 在研

·   基于反应动力学机理模型的制药过程反应溶剂设计方法研究(22078041), 2021.1~2024.12, 国家自然科学基金面上项目主持在研

·   基于晶体生长机理模型的制药过程结晶溶剂设计方法研究(21808025), 2019.1~2021.12, 国家自然科学基金青年项目, 主持, 已结题

·   基于多尺度模型的精细化学品及过程智能设计方法(2021RQ105), 大连市青年科技之星项目, 2021.1~2022.12, 主持, 在研, 10

·   基于分子动力学的高性能聚合物分子设计方法研究(DUT20JC41), 2020.1~2021.12, 中央高校基本科研业务费主持已结题

·   功能性化工产品设计方法研究(DUT17RC(3)008), 2017.3~2018.12, 中央高校基本科研业务费, 主持, 已结题


获得奖励


·  2023 RINENG Young Investigator Award of Results in Engineering Journal

·  2021 大连市青年科技之星

·  2021 第十八届中国化工学会信息技术应用专业委员会年会优秀论文

·  2020 校教学质量优良奖

·  2020 辽宁省普通高等教育(本科)教学成果一等奖(11/11

·  2020 首批国家级一流本科课程“化工过程分析与合成”团队主要成员(4/5

·  2020 中国石油和化工教育教学优秀成果二等奖(11/11

·  2019 “全国石油和化工教育优秀教学团队”成员(11/14

·   2019 过程系统工程青年科技奖

·   2019 2019年中国过程系统工程年会(PSE2019)优秀论文二等奖

·   2019 第十七届中国化工学会信息技术应用专业委员会年会优秀论文

·   2019 Best Student Presentation in SCPPE 2019 International Conference (Supervisor)

·   2017 Best Paper Award of Journal Computers & Chemical Engineering

·   2017 第十六届中国化工学会信息技术应用专业委员会年会优秀论文

·   2015 Outstanding reviewer of Journal Computers & Chemical Engineering


社会兼职


·   过程工程学报青年编委

·   Editorial board of Journal Discover Chemical Engineering

·   Guest editor of Journal Current Opinion in Chemical EngineeringFrontiers in Chemical Engineering

·   第十七届中国化工学会信息技术应用专业委员会年会组委会成员

·   Expert consultant of PSE for SPEED Company

·  中国系统工程学会过程系统工程专业委员会委员

·   中国化工学会信息技术应用专业委员会副秘书长、青年委员

·   中国化工学会模拟及仿真专业委员会青年委员

·  辽宁省化工学会医药化工专业委员会委员

·   中国系统工程学会会员

·   Session chair for ICFMCE 2018~2019, 中国过程系统工程年会(2018~2020) 

·  International program committee for PSE 2021 conference

·   Member of the scientific committee for ESCAPE-28~ESCAPE-31, ICFMCE 2018~2019 conferences

·   Reviewer of ACS Sustainable Chemistry & EngineeringACS CatalysisAIChE JournalChemical Engineering Science, Industrial & Engineering Chemistry Research, Computers & Chemical EngineeringReviews in Chemical Engineering, Current Opinion in Chemical Engineering, etc.


口头报告


·   张磊, 精细化学品智能设计与制造, 智能材料化工国际峰会, 辽宁大连, 20231027-29. (邀请报告)

·   张磊, 精细化学品智能设计与制造, 第十二届化学工程青年学者学术交流研讨会, 辽宁大连, 2023926-27. (邀请报告)

·   张磊, 人工智能方法辅助精细化学品设计与制造, 第十五届全球华人化工学者研讨会, 中国香港, 202385-9. (邀请报告)

·   张磊机理-数据融合驱动的精细化学品设计与逆合成方法研究第七届全国化学工程与生物化工年会北京, 2023728-30. (邀请报告)

·   张磊基于大数据建模的淀粉糖工艺参数预测系统开发第八届世界淀粉大会山东德州, 2023712(大会报告)

·   张磊, 机理-数据融合驱动的精细化学品设计与逆合成方法研究, 第二届自动化智能分子制造会议, 浙江杭州, 202378-9.

·   Zhang, L., Computer-aided solvent design combining computational chemistry and machine learning method, The 2nd Greater Bay Area Symposium on Separation and Purification Technology and the 2nd Greater Bay Area Symposium on Membranes and Membrane Processes, Guangzhou, China, May 19-22, 2023. (Invited presentation)

·   张磊当化学遇上计算机:分子的智能设计教育部智能材料化工前沿科学中心2022年云端系列公益讲座(第七期),  20221120.

·   Zhang, L., Integrated chemical product design method based on computation chemistry and machine learning, INTERNATIONAL CONFERENCE ON MATHEMATICS IN (BIO)CHEMICAL KINETICS AND ENGINEERING (MaCKiE 2021), Shanghai, China, Oct. 24-27. (Keynote presentation)

·   张磊过程系统工程理论在化工产品设计中的多尺度应用, 2021中国化工学会年会辽宁沈阳, 2021925-26. (18分会场邀请报告)

·   张磊过程系统工程理论在化工产品设计中的多尺度应用第十八届信息技术应用专业委员会年会天津, 2021917-18. (青年论坛邀请报告)

·   张磊结合计算化学与机器学习的化工产品设计方法13届全球华人化工学者研讨会辽宁大连, 2021913-16. (口头报告)

·   张磊过程系统工程理论在产品设计中的多尺度应用“化工系统工程助力化工实现碳中和”学术论坛青岛, 2021730-81. (Keynote presentation)

·   张磊结合计算化学与机器学习的产品设计方法, 2020年中国过程系统工程年会重庆, 20201113-15. (Keynote presentation)

·   Zhang, L., QMaC: A Quantum mechanics/machine learning-based computational tool for chemical product design. PSE Asia 2020, Taipei, Nov. 4-6, 2020. (Keynote presentation)

·   Zhang, L., ProCAPD - A Smart Tool for Computer-Aided Chemical Product Design. ICFMCE 2019 Conference. Bangkok, Thailand. Dec. 15-17, 2019. (Keynote presentation)

·   Mao, H., Zhang, L.*, Liu, L., Du, J., Gani, R. COSMO-based inverse neural network: A novel machine learning approach towards mixture product design. 5th International Conference on Sustainable Chemical Product and Process Engineering. Tianjin, China. Jul. 1-3, 2019. (Oral presentation, Best student presentation)

·   Zhang, L., A GC+-COSMO Model for Computer-Aided Molecular Design: Framework and Applications. 2nd Process System Engineering (PSE) – State of the Art Workshop. Nuevo Vallarta, Mexico. Jan. 26-30, 2019. (Keynote presentation)

·   Zhang, L., An Optimization-Based Computer-Aided Molecular and Mixture Design Framework. ICFMCE 2018 Conference. Abu Dhabi, UAE. Nov. 20-22, 2018. (Keynote presentation)

·   梁馨元,张磊*,刘琳琳,都健基于分子动力学的橡胶聚合物计算机辅助设计方法. 2018年中国过程系统工程年会青海,西宁. 2018822-24. (Keynote presentation)

·   刘奇磊,冯锟,刘琳琳,都健,孟庆伟,张磊*基于Dragon描述符与改进的决策树遗传算法的反应溶剂设计方法. 2018年中国过程系统工程年会青海,西宁. 2018822-24. (Keynote presentation)

·   Zhang, L.*, Mao, H., Liu, L., Du, J., Gani, R. Fragrance Product Design/Screening Methods Using an Integrated Machine Learning and CAMD Model. 2018 AIChE Annual Meeting. Pittsburgh, PA, USA. Oct. 26-Nov. 2. (Oral presentation)

·   Liu, Q., Zhang, L.*, Liu, L., Du, J., Meng, Q. Computer-Aided Reaction Solvent Design Integrated with New Reaction Mechanism Model. 2018 AIChE Annual Meeting. Pittsburgh, PA, USA. Oct. 26-Nov. 2. (Oral presentation)

·   Liu, Q., Zhang, L.*, Liu, L., Du, J., Liang, X., Mao, H., Meng, Q. GC-COSMO based Reaction Solvent Design with New Kinetic Model using CAMD. Proceedings of the 13th International Symposium on Process Systems Engineering – PSE 2018. San Diego, California, USA. July 1-5, 2018. (Oral presentation)


发表论文


2024:

[146] Che, X., Liu, Q., Yu, F., Zhang, L.*, Gani, R. A virtual screening framework based on the binding site selectivity for small molecule drug discovery, Computers & Chemical Engineering, 2024, 184, 108626. (SCI)

[145] Zhao, Y., Liu, Q., Du, J., Meng, Q., Sun, L., Zhang, L.* Accelerating factor Xa inhibitor discovery with a de novo drug design pipeline, Chinese Journal of Chemical Engineering, 2024. (SCI)

[144] 周康王建新, 于海, 范丰奇, 车昕昊, 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, 化工学报, 2024. (EI)

[143] Liu, Q., Xiang, S., Du, J., Meng, Q., Chen, J., Gao, M., Xing, B., Zhang, L.* Improved Prediction of Reaction Kinetics for Amine Absorbent-based Carbon Capture using Reactive Site-based Transition State Conformer Search Method, Fuel, 2024, 361, 130730. (SCI)

2023:

[142] Zhao, Y., Liu, Q.*, Du, J., Meng, Q., Zhang, L.* Machine Learning Methods for Developments of Binding Kinetic Models in Predicting Protein-Ligand Dissociation Rate Constants, Smart Molecules, 2023, 1(3), e20230012. (SCI)

[141] Che, X., Liu, Q., Zhang, L.* An accurate and universal protein-small molecule batch docking solution using Autodock Vina, Results in Engineering, 2023, 19, 101335. (SCI)

[140] Tang, K., Zhuang, Y., Wang, W., Liu, Q.*, Zhang, L., Du, J., Meng, Q. GC-NORM-based Thermodynamic Framework for Evaluations of Organic Reactions involving Carbon Dioxide Utilization, Chemical Engineering Science, 2023, 118913. (SCI) 

[139] Meng, J., Li, C., Tao, J., Li, Y., Tong, Y., Wang, Y., Zhang, L., Dong, Y.*, Du, J.* RNN-LSTM-Based Model Predictive Control for a Corn-to-Sugar Process, Processes, 2023, 11(4), 1080. (SCI) 

[138] Liu, Q., Tang, K., Zhang, L., Du, J.*, Meng, Q. Computer-assisted synthetic planning considering reaction kinetics based on transition state automated generation method, AIChE Journal, 2023, 69(7), e18092. (SCI) 

[137] 王璐张磊*都健机器学习高效筛选用于CO2/N2选择性吸附分离的沸石材料化工进展, 2023, 42(1), 148-158. (EI) 

[136] Hong, H., Zhuang, Y.*, Zhang, L., Xing, Y., Liu, L.*, Du, J. A superstructure-based approach for integrating work-heat within hydrogen allocation network considering rigorous thermophysical properties, Chemical Engineering Research and Design, 2023, 192, 110-127. (SCI)

[135] Wang, W., Liu, Q.*, Dong, Y., Du, J., Meng, Q., Zhang, L.* ConvPred: A Deep Learning-based Framework for Predictions of Potential Organic Reactions, AIChE Journal, 2023, 69(5), e18019. (SCI) 

[134] Guo, W., Chai, S., Zhang, L.*, Du, J. Computer aided design of crosslinked polymer membrane using machine learning and molecular dynamics, Chemie Ingenieur Technik, 2023, 95(3), 447-457. (SCI) 

[133] Tong, Y., Shu, M., Li, M., Liu, Y., Tao, R., Zhou, C., Zhao, Y., Zhao, G., Li, Y.*, Dong, Y., Zhang, L., Liu, L., Du, J.* A neural network-based production process modeling and variable importance analysis approach in corn to sugar factory, Frontiers of Chemical Science and Engineering2023, 17, 358-371. (SCI) 

2022:

[132] 吴心远刘奇磊*, 曹博渊张磊都健. Group2vec:基于无监督机器学习的基团向量表示及其物性预测应用化工学报, 2022. (EI)

[131] Gao, J., Liu, L., Dong, Y.*, Zhang, L., Zhuang, Y., Du, J. Stochastic programming-based mathematical model and solution strategy for chemical production scheduling with processing time uncertainty, Computers & Chemical Engineering, 2022, 168, 108043. (SCI)

[130] 齐书平王文龙张磊*都健基于深度学习的金属离子-有机配体配位稳定常数的预测化工学报, 2022, 73(12), 5461-5468. (EI) 

[129] Wu, X., Liu, Q.*, Zhao, Y., Zhang, L., Du, J. Reaction Kinetic Model considering Solvation Effect based on FMO theory and Deep Learning, Industrial & Engineering Chemistry Research, 2022, 61(41), 15261-15272. (SCISupplementary Cover

[128] Wang, C., Zhuang, Y.*, Dong, Y., Liu, L., Zhang, L., Du, J. Conceptual design of sustainable extractive distillation processes combining preconcentration and extractive distillation functions for separating ternary multi-azeotropic mixture, Chemical Engineering Science, 2022, 263, 118088. (SCI) 

[127] 向晟王超庄钰顾偲雯张磊*都健变压精馏分离乙酸甲酯-甲醇-乙酸乙酯体系的设计与控制化工进展, 2022, 41(8), 4065-4076. (EI) 

[126] Wang, C., Zhuang, Y.*, Song, M., Liu, L., Dong, Y., Zhang, L., Du, J. Design and optimization of organic Rankine cycle using different working fluids for recovering waste heat in reaction-separation process of cumene synthesis, Chemical Engineering Research and Design, 2022, 186, 497-510. (SCI) 

[125] Qin, Y., Zhuang, Y.*, Wang, C., Zhang, L., Liu, L., Du, J. Multi-objective optimization and comparison of the entrainer-assisted pressure-swing distillation and extractive distillation separation sequences for separating a pressure-insensitive binary azeotrope, Computers & Chemical Engineering, 2022, 107959. (SCI) 

[124] Che, X., Chai, S., Zhang, Z., Zhang, L.* Prediction of Ligand Binding Sites Using Improved Blind Docking Method with a Machine Learning-Based Scoring Function, Chemical Engineering Science, 2022, 261, 117962. (SCI) 

[123] Sun, X., Zhuang, Y., Liu, L.*, Dong, Y., Zhang, L., Du, J. Multi-objective optimization of heat exchange network and thermodynamic cycles integrated system for cooling and power cogeneration, Applied Energy, 2022, 321, 119366. (SCI) 

[122] Zhao, Y., Liu, Q.*, Wu, X., Zhang, L., Du, J.*, Meng, Q. De novo drug design framework based on mathematical programming method and deep learning model, AIChE Journal, 2022, 68(9), e17748. (SCI) 

[121] 张磊都健*, 王瑶董宏光刘琳琳肖武董亚超化工过程分析与合成国家级一流本科课程建设与应用化工高等教育, 2022, 39(2), 95-100.

[120] Xing, Y., Dong, Y.*, Goergakis, C., Zhuang, Y., Zhang, L., Du, J., Meng, Q. Automatic Data-driven Stoichiometry Identification and Kinetic Modeling Framework for Homogeneous Organic Reactions, AIChE Journal, 2022, 68(7), e17713. (SCI) 

[119] Gani, R. Zhang, L., Gounaris C. Editorial overview: Frontiers of chemical engineering: chemical product design II, Current Opinion in Chemical Engineering, 2022, 35, 100783. (SCI)

[118] Gu, S., Zhang, L., Zhuang, Y., Li, W., Du, J.*, Shao, C. Two-tier control structure design methodology applied to heat exchanger networks, Chinese Journal of Chemical Engineering, 2022, 47, 231-244. (SCI)

[117] Guo, W., Liu, Q., Zhang, L.*, Du, J., Zhu, X., Fung, K. Y., Yu, Y., Ng, K. M. Computer-Aided Design of a Perfluorinated Sulfonic Acid Proton Exchange Membrane Using Stochastic Optimization and Molecular Dynamic Method, Industrial & Engineering Chemistry Research, 2022, 60(49), 18045-18057. (SCI, Supplementary Cover)

[116] Wang, W., Liu, Q., Zhang, L.*, Dong, Y., Du, J. RetroSynX: A retrosynthetic analysis framework using hybrid reaction templates and group contribution-based thermodynamic models, Chemical Engineering Science, 2022, 248, Part B, 117208. (SCI)

[115] Chai, S., Li, E., Zhang, L.*, Du, J., Meng, Q. Crystallization Solvent Design Based on a New Quantitative Prediction Model of Crystal Morphology, AIChE Journal, 2022, 68(1), 17499. (SCI)

[114] Chai, S., Song, Z., Zhou, T., Zhang, L.*, Qi, Z.* Computer-Aided Molecular Design of Solvents for Chemical Separation Processes. Current Opinion in Chemical Engineering, 2022, 35, 100732 (SCI)

[113] Wang, C., Zhuang, Y.*, Dong, Y., Zhang, L., Liu, L., Du, J.* Design and control analysis of the side-stream extractive distillation column with low concentration intermediate-boiling entrainer. Chemical Engineering Science, 2022, 247, 116915. (SCI)

[112] Liu, Q., Jiang, Y., Zhang, L.*, Du, J. A computational toolbox for molecular property prediction based on quantum mechanics and quantitative structure-property relationship, Frontiers of Chemical Science and Engineering, 2022, 16, 152-167. (SCI)

2021:

[111] Li, S., Zhang, S., Chai, S., Zang, X., Cheng, C., Ma, F.*, Zhang, L.*, Lu, Y.* Structured Solid Electrolyte Interphase enable Reversible Li Electrodeposition in Flame-Retardant Phosphate-Based Electrolyte. Energy Storage Materials, 2021, 42, 628-635. (SCI)

[110] Song, M., Zhuang, Y.*, Zhang, L., Li, W., Du, J., Shen, S. Thermodynamic performance assessment of SOFC-RC-KC system for multiple waste heat recovery. Energy Conversion and Management, 2021, 245, 114579. (SCI)

[109] Chai, S., Zhang, L.*, Du, J., Tula, A. K., Gani, R., Eden, M. R. A versatile modelling system for integrated chemical product design problems. Computer Aided Chemical Engineering, 2021, 50, 75-80. (CPCI)

[108] Liu, Q., Zhang, L.*, Du, J., Gani, R. Computer-Aided Solvent Design Integrated with a Machine Learning-based Atom Contribution Method. Computer Aided Chemical Engineering, 2021, 50, 69-74. (CPCI)

[107] Alshehri, A. S., Tual, A. K., Zhang, L., Gani, R.*, You, F.* A Platform of Machine Learning-Based Next-Generation Property Estimation Methods for CAMD. Computer Aided Chemical Engineering, 2021, 50, 227-233. (CPCI)

[106] Song, M., Zhuang, Y.*, Zhang, L., Wang, C., Du, J., Shen, S. Advanced exergy analysis for the solid oxide fuel cell system combined with a kinetic-based modeling pre-reformer. Energy Conversion and Management, 2021, 245, 1154560 (SCI)

[105] Zhang, L., Mao, H., Zhuang, Y., Wang, L., Liu, L., Dong, Y., Du, J.*, Xie, W., Yuan, Z. Odor Prediction and Aroma Mixture Design using Machine Learning Model and Molecular Surface Charge Density Profiles. Chemical Engineering Science, 2021, 245, 116947. (SCI)

[104] Zhuang, Y., Xing, Y., Zhang, L., Liu, L., Du, J.*, Shen, S. An enhanced superstructure-based model for work-integrated heat exchange network considering inter-stage multiple utilities optimization. Computers and Chemical Engineering, 2021, 152, 107388. (SCI)

[103] Liu, Q., Mao, H., Zhang, L.*, Liu, L., Du, J. Chapter 12: Integrated machine learning framework for computer-aided chemical product design. Applications of Artificial Intelligence in Process Systems Engineering, Elsevier, 2021, ISBN: 978-0-12-821092-5.

[102] Wang, C., Zhuang, Y.*, Qin, Y., Dong, Y., Liu, L., Zhang, L., Du, J.* Optimization and eco-efficiency analysis of extractive distillation processes with different solvents for separating the ternary mixture embedding two azeotropes, Separation and Purification Technology, 2021, 269, 118763. (SCI)

[101] Li, M., Zhuang, Y.*, Li, W., Dong, Y., Zhang, L., Du, J., Shen, S. A surrogate-based optimization framework for simultaneous synthesis of chemical process and heat exchanger network, Chemical Engineering Research and Design, 2021, 170, 180-188. (SCI)

[100] Zhuang, Y., Zhou, C., Zhang, L., Liu, L., Du, J.*, Shen, S. A Simultaneous Optimization Model for a Heat-integrated Syngas-to-Methanol Process with Kalina Cycle for Waste Heat Recovery, Energy, 2021, 120536. (SCI)

[99] Wang, C., Zhuang, Y.*, Dong, Y., Zhou, C., Zhang, L., Du, J.* Conceptual design of the triple-column extractive distillation processes with single entrainer and double entrainer for separating the N-hexane/acetone/chloroform ternary multi-azeotropic mixture, Chemical Engineering Science, 2021, 237, 116578. (SCI)

[98] Wang, C., Zhuang, Y.*, Liu., L., Zhang, L., Du, J.* Heat pump assisted extractive distillation sequences with intermediate-boiling entrainer, Applied Thermal Engineering, 2021, 186, 116511. (SCI)

[97] 张磊*, 贺丁刘琳琳都健基于模型的化工产品设计方法—综述与展望化工进展, 2021. (EI)

[96] 赵红庆刘奇磊张磊*, 董亚超都健考虑选择性和反应速率的多目标制药反应溶剂设计化工学报, 2021, 72(3), 1465-1472. (EI, 封面文章)

[95] 仪桐辛张磊*, 都健吸收式热泵循环的新型有机工质对计算机辅助分子设计化工学报, 2021, 72(3), 1457-1464. (EI)

[94] Wang, C., Zhuang, Y.*, Liu, L., Zhang, L., Du, J.* Design and comparison of energy-saving double column and triple column reactive-extractive hybrid distillation processes for ternary multi-azeotrope dehydration, Separation and Purification Technology, 2021, 259, 118211. (SCI)

[93] Liu, Q., Zhang, L.*, Tang, K., Liu, L., Du, J., Meng, Q., Gani, R. Machine Learning-based Atom Contribution Method for the Prediction of Charge Density Profiles and Solvent Design. AIChE Journal, 2021, 67(2), e17110. (SCI, AIChE J. Top Cited Article 2020-2022)

[92] Chai, S., Zhang, L., Du, J., Tula, A. K.*, Gani, R., Eden M.* A versatile modeling framework for integrated chemical product design, Industrial & Engineering Chemistry Research, 2021, 60(1), 436-456. (SCI)

    2020:

[91] Zhuang, Y., Li, M., Zhang, L., Liu, L., Du, J.* Simultaneous optimization of a heat-integrated coal-to-SNG/MeOH polygeneration process based on rigorous kinetic models, Industrial & Engineering Chemistry Research, 2020, 59(51), 22247–22257. (SCISupplementary Cover)

[90] Liu, Q., Tang, K., Zhang, J., Feng, Y., Xu, C., Liu, L., Du, J., Zhang, L.* QMaC: A Quantum Mechanics/Machine Learning-based Computational Tool for Chemical Product Design, In Computer Aided Chemical Engineering, 2020. (Vol. 48, pp. 1807-1812). Elsevier. (CPCI)

[89] Wang, C., Zhuang, Y.*, Liu, L., Zhang, L., Du, J.* Design and comparison of conventional and side-stream extractive distillation sequences for separating the methanol-toluene binary azeotrope with intermediate boiling entrainer, Computers & Chemical Engineering, 2020, 143, 107115. (SCI)

[88] Sun, X., Liu, L., Dong, Y., Zhuang, Y., Zhang, L., Du, J.* A superstructure-based simultaneous optimization of heat exchanger network and compression-absorption cascade refrigeration system for heat recovery, Industrial & Engineering Chemistry Research, 2020, 59(36), 16017–16028. (SCI, Supplementary Cover)

[87] Ababneh, H., Mohammad, N., Choudhury, H. A., Zhang, L., Gani, R., McKay, G., Elbashir, N.* Enhancing the lubricity of gas-to-liquid (GTL) paraffinic kerosene: impact of the additives on the physicochemical properties, BMC Chemical Engineering, 2020, 2, 9. (SCI)

[86] Li, Y., Zhang, L., Yuan, Z.*, Gani, R. Synthesis and Design of Sustainable Integrated Process, Water Treatment, and Power Generation Networks, Computers & Chemical Engineering, 2020, 141, 107041. (SCI)

[85] Liu, L., Sheng, Y., Zhuang, Y., Zhang, L., Du, J.* Multi-objective optimization of inter-plant heat exchanger networks considering utility steam supply and various locations of inter-plant steam generation/utilization, Industrial & Engineering Chemistry Research, 2020, 59(32), 14433–14446. (SCI)

[84] Liu, L., Li, C., Gu, S., Zhang, L., Du, J.* Optimization-based framework for the synthesis of heat exchanger networks incorporating controllability, Energy, 2020, 208, 118292. (SCI)

[83] Li, W., Zhuang, Y., Liu, L., Zhang, L., Du, J.* Process evaluation and optimization of methanol production from shale gas based on kinetics modeling, Journal of Cleaner Production, 2020, 274, 123153. (SCI)

[82] 柴士阳刘奇磊梁馨元张颂郭彦锁徐承秋张磊都健*, 袁志宏计算机辅助高纯2-巯基苯并噻唑结晶溶剂设计方法清华大学学报(自然科学版), 2020, 60(8), 701-706. (EI)

[81] Zhang, L., Pang, J., Zhuang, Y., Liu, L., Du, J.*, Yuan, Z. Integrated Solvent-Process Design Methodology based on COSMO-SAC and Quantum Mechanics for TMQ (2,2,4-trimethyl-1,2-H-dihydroquinoline) Production, Chemical Engineering Science, 2020, 226, 115894. (SCI)

[80] Zhang, S., Zhuang, Y., Tao, R., Liu, L.*, Zhang, L., Du, J. Multi-objective Optimization for the Deployment of Carbon Capture Utilization and Storage Supply Chain Considering Economic and Environmental Performance, Journal of Cleaner Production, 2020, 270, 122481. (SCI)

[79] Zhang, S., Zhuang, Y., Liu, L.*, Zhang, L., Du, J. Optimization-based approach for CO2 Utilization in Carbon Capture, Utilization and Storage Supply Chain, Computers & Chemical Engineering, 2020, 139, 106885. (SCI)

[78] Li, M., Zhuang, Y.*, Zhang, L., Liu, L., Du, J., Shen, S. Conceptual design and techno-economic analysis for a coal-to-SNG/methanol polygeneration process in series and parallel reactors with integration of waste heat recovery, Energy Conversion and Management2020, 214, 112890. (SCI)

[77] Gani, R., Zhang, L. Editorial overview: Frontiers of Chemical Engineering: Chemical Product Design. Current Opinion in Chemical Engineering, 2020, 27, A1-A3. (SCI)

[76] 李晨莹刘琳琳张磊顾偲雯都健*. 不确定性下基于多工况优化的可控性换热器网络综合化工学报, 2020, 71(3), 1154-1162. (EI, 2019年中国过程系统工程年会优秀论文二等奖)

[75] Liu, L., Wu, C., Zhuang, Y., Zhang, L., Du, J.* Interplant Heat Integration Method Involving Multiple Intermediate Fluid Circles and Agents: Single-Period and Multiperiod Designs. Industrial & Engineering Chemistry Research, 2020, 59, 10, 4698-4711. (SCI)

[74] Sheng, Y., Liu, L.*, Zhuang, Y., Zhang, L., Du, J. Simultaneous Synthesis of Heat Exchanger Network and Utility System Considering Various Locations of Steam Heaters. Energies, 2020, 13(6), 1467. (SCI)

[73] Zhuang, Y., Zhang, L., Liu, L., Du, J.*, Shen, S. An Upgraded Superstructure-based Model for Simultaneous Synthesis of Direct Work and Heat Exchanger Networks. Chemical Engineering Research and Design, 2020, 159, 377-394. (SCI)

[72] Zhuang, Y., Yang, R., Zhang, L., Du, J.*, Shen, S. Simultaneous Synthesis of Sub and Above-ambient Heat Exchanger Networks including Expansion Process Based on an Enhanced Superstructure Model. Chinese Journal of Chemical Engineering, 2020, 28(5), 1344-1356. (SCI)

[71] Zhou, C., Zhuang Y.*, Zhang, L., Liu, L., Du, J., Shen, S. A novel pinch-based method for process integration and optimization of Kalina Cycle. Energy Conversion and Management, 2020, 209, 112630. (SCI)

[70] Wang, C., Zhuang, Y., Liu, L., Zhang, L., Du, J.* Control of energy-efficient extractive distillation configurations for separating the methanol/toluene azeotrope with intermediate-boiling entrainer, Chemical Engineering and Processing - Process Intensification, 2020, 149, 107862. (SCI)

[69] Sun, X., Liu, L.*, Zhuang, Y., Zhang, L., Du, J. Heat Exchanger Network Synthesis Integrated with Compression-Absorption Cascade Refrigeration System, Processes, 2020, 8(2), 210. (SCI)

[68] Chai, S., Liu, Q., Liang, X., Guo, Y., Zhang, S., Xu, C., Du, J., Yuan, Z., Zhang, L.*, Gani, R.* A Grand Product Design Model for Crystallization Solvent Design, Computers & Chemical Engineering, 2020, 135, 106764. (SCI)

[67] Wang, C., Zhuang, Y., Liu, L., Zhang, L., Du, J.*, Zhang, Z. Design and control of a novel side-stream extractive distillation column for separating methanol-toluene binary azeotrope with intermediate boiling entrainer, Separation and Purification Technology, 2020, 239, 116581. (SCI) 

[66] Zhang, X., Zhang, L., Fung, K. Y., Bakshi, B. R., Ng, K. M.* Sustainable Product Design: A Life-Cycle Approach, Chemical Engineering Science2020, 217, 115508. (SCI)

[65] Zhang, L.*, Mao, H., Liu, Q., Gani, R.* Chemical Product Design – Recent Advances and Perspectives, Current Opinion in Chemical Engineering, 2020, 27, 22-34. (SCI, COChE Top Cited Article 2020-2022)

[64] Yang, R., Zhuang, Y., Zhang, L., Du, J.*, Shen, S. A Thermo-economic Multi-objective Optimization Model for Simultaneous Synthesis of Heat Exchanger Networks Including Compressors, Chemical Engineering Research and Design, 2020, 153, 120-135. (SCI)

2019:

[63] Pang, J., Zhang, L.*, Liu, L., Du, J., Zhuang, Y. Integrated Process-Product Design based on COSMO-SAC model: Application to the Production of 2,2,4-Trimethyl-1,2-H-Dihydroquinoline (TMQ), Chemical Engineering Transactions, 2019, 76, 1183-1188. (CPCI)

[62] Li, C., Liu, L., Zhang, L., Gu, S., Du, J.* Simultaneous Synthesis of Controllable Heat Exchanger Networks, Chemical Engineering Transactions, 2019, 76, 739-744. (CPCI)

[61] Li, W., Zhuang, Y., Liu, L., Zhang, L., Du, J.* Economic, Exergy, Environmental (3E) Analysis of Methanol Production from Shale Gas, Chemical Engineering Transactions, 2019, 76, 655-660. (CPCI)

[60] Zhuang, Y., Liu, L., Zhang, L., Du, J.*, Shen, S. An Efficient Sequential Approach for Work-Heat Exchange Networks Synthesis Combined with Meta-Heuristic Strategies, Chemical Engineering Transactions, 76, 583-588. (CPCI)

[59] Sun, X., Liu, L., Sheng, Y., Zhang, L., Du, J.* Heat Exchanger Network Synthesis with Absorption Refrigeration Cycle Integrated Considering the Optimization of Operating Condition, Chemical Engineering Transactions, 2019, 76, 301-306. (CPCI)

[58] Sheng, Y., Liu, L.*, Zhang, L., Du, J. Simultaneous Synthesis of Heat Exchanger Network and Utility System Considering Inter- and Inner-stage Heaters, Chemical Engineering Transactions, 2019, 76, 295-300. (CPCI)

[57] Yang, R., Zhuang, Y., Zhang, L., Liu, L., Du, J.* Enhanced Superstructure-based Model for Synthesis of Sub-ambient Heat Exchanger Networks with Expansion Process, Chemical Engineering Transactions, 2019, 76, 289-294. (CPCI)

[56] Zhang, S., Tao, R., Liu, L.*, Zhang, L., Du, J. Economic and Environmental Optimisation Framework for Carbon Capture Utilisation and Storage Supply Chain, Chemical Engineering Transactions, 2019, 76, 1-6. (CPCI)

[55] 王璐, 毛海涛, 张磊*, 刘琳琳, 都健. 基于反向机器学习的调香设计方法. 化工学报, 2019, 70(12), 4722-4729. (EI, 第十七届中国化工学会信息技术应用专业委员会年会优秀论文)

[54] Liu, Q., Zhang, L., Tang, K., Feng, Y., Zhang, J., Zhuang, Y., Liu, L., Du, J.* Computer-aided reaction solvent design considering inertness using group contribution-based reaction thermodynamic model, Chemical Engineering Research and Design, 2019, 152, 123-133. (SCI)

[53] Zhang, X., Zhou, T., Zhang, L., Feng, K. Y., Ng, K. M.* Food product design: A hybrid machine learning and mechanistic modeling approach, Industrial & Engineering Chemistry Research, 2019, 58(36), 16743-16752.  (SCI)

[52] Liang, X., Zhang, X., Zhang, L.*, Liu, L., Du, J., Zhu, X., Ng, K. M. Computer-aided polymer design: Integrating group contribution and molecular dynamics, Industrial & Engineering Chemistry Research, 2019, 58(34), 15542-15552. (SCI)

[51] Zhang, S., Zhuang, Y., Liu, L.*, Zhang, L., Du, J. Risk management optimization framework for the optimal development of carbon capture and storage system under uncertainty. Renewable and Sustainable Energy Reviews, 2019, 113, 109280. (SCI)

[50] Liu, L., Bai, Y., Zhang, L., Gu, S., Du, J.* Synthesis of flexible heat exchanger networks considering gradually accumulated deposit and cleaning management. Industrial & Engineering Chemistry Research, 2019, 58(27), 12124-12136. (SCI, Supplementary Cover)

[49] Li, W., Zhuang, Y., Zhang, L., Liu, L., Du, J.* Economic evaluation and environmental assessment of shale gas dehydration process. Journal of Cleaner Production, 2019, 232, 487-498. (SCI)

[48] Zhang, X., Zhang, L., Fung, K. Y., Ng, K. M.* Product Design: Incorporating Make-or-buy Analysis and Supplier Selection. Chemical Engineering Science, 2019, 202, 357-372. (SCI)

[47] 杨蕊, 庄钰, 刘琳琳, 张磊, 都健*. 功热交换网络综合的研究进展, 化工进展, 2019, 38(6), 2550-2557. (EI)

[46] Liu, Q., Zhang, L.*, Liu, L., Du, J., Meng, Q., Gani, R. Computer-aided reaction solvent design based on transition state theory and COSMO-SAC. Chemical Engineering Science, 2019, 202, 300-317. (SCI)

[45] Zhuang, Y., Liu, L., Zhang, L., Du, J.*, Shen, S. An Extended Superstructure Modeling Method for Simultaneous Synthesis of Direct Work Exchanger Networks. Chemical Engineering Research and Design, 2019, 144, 258-271. (SCI)

[44] 刘奇磊, 冯锟, 刘琳琳, 都健, 孟庆伟, 张磊*. 基于Dragon描述符与改进的决策树-遗传算法的反应溶剂设计方法. 化工学报, 2019, 70(2), 535-540. (EI)

[43] 梁馨元, 张磊*, 刘琳琳, 都健. 基于分子动力学的橡胶聚合物计算机辅助设计方法化工学报, 2019, 70(2), 525-532. (EI)

[42] 王少靖, 刘琳琳, 张磊, 都健*, 吴恺艺. 集成NGL回收的新型天然气液化系统(AP-XTM)的概念设计与分析. 化工学报, 2019, 70(2), 508-515. (EI)

[41] 吴长昊, 刘琳琳*, 张磊, 都健. 采用两种中间介质的工业园区厂际余热集成. 化工学报, 2019, 70(2), 431-439. (EI, 封面文章)

[40] 郭孝正, 刘琳琳*, 张磊, 都健. 基于截断器半连续操作的间歇过程性质集成. 化工学报, 2019, 70(2), 516-524. (EI)

[39] Li, W., Zhuang, Y., Liu, L., Zhang, L., Du, J.* Economic Evaluation and Environmental Assessment of Shale Gas Sweetening Process, Chemical Engineering & Technology, 2019, 42(4), 753-760. (SCI)

[38] Gu, S., Liu, L., Zhang, L., Bai, Y., Du, J.* Optimization-based Framework for Designing Dynamic Flexible Heat Exchanger Networks, Industrial & Engineering Chemistry Research, 2019, 58(15), 6026-6041. (SCI, Supplementary Cover)

[37] Liu, Q. Zhang, L.*, Liu, L., Du, J., Tula, A. K., Eden, M., Gani, R. OptCAMD: An Optimization-Based Framework and Tool for Molecular and Mixture Product Design, Computers & Chemical Engineering, 2019, 124, 285-301. (SCI)

2018:

[36] Zhang, S., Liu, L.*, Zhang, L., Zhuang, Y., Du, J.* (2018). An optimization model for carbon capture utilization and storage supply chain: A case study in Northeastern China, Applied Energy, 231, 194-206. (SCI)

[35] Li, W., Liu, L., Zhang, L., Meng, Q., Du, J.* (2018). Optimization of Shale Gas Sweeting Process Coupling with Claus Process Based on Energy Synthesis, Chemical Engineering Transactions, 70, 1027-1032. (EI)

[34] San, H., Meng, Q., Liu, L., Zhang, L., Du, J.* (2018). Creative Optimization and Industrial Research of Freeze Drying Process of the Cardiomyopeptidin for Injection, Chemical Engineering Transactions, 70, 1201-1206. (EI)

[33] Zhang, S., Liu, L., Zhang, L., Meng, Q., Du, J.* (2018). Optimal Planning for Regional Carbon Capture and Storage Systems under Uncertainty, Chemical Engineering Transactions, 70, 1207-1212. (EI)

[32] Liu, Q., Zhang, L.*, Liu, L., Du, J., Liang, X., Mao, H., Meng, Q. (2018). GC-COSMO based Reaction Solvent Design with New Kinetic Model using CAMD. In Computer Aided Chemical Engineering (Vol. 44, pp. 235-240). Elsevier. (CPCI)

[31] Kalakul, S., Zhang, L., Choudhury H., Elbashir, N. O., Eden M.*, Gani, R. (2018). ProCAPD – A Computer-Aided Model-Based Tool for Chemical Product Design and Analysis. In Computer Aided Chemical Engineering (Vol. 44, pp. 469-474). Elsevier. (CPCI)

[30] Zhuang, Y., Zhang, L., Liu, L., Meng, Q., Du, J.* (2018). Simultaneous Synthesis of WHEN Based on Superstructure Modelling Considering Thermodynamic and Economic Factors. In Computer Aided Chemical Engineering (Vol. 44, pp. 1033-1038). Elsevier. (CPCI)

[29] Liu, L., Sheng, Y., Zhang, L., Du, J.*, Meng, Q. (2018). Water networks synthesis for industrial parks respecting to unpredictable scenarios. In Computer Aided Chemical Engineering (Vol. 44, pp. 1021-1026). Elsevier. (CPCI)

[28] Gu, S., Liu, L., Zhang, L., Bai, Y., Wang, S., Du, J.* (2018). Heat exchanger networks synthesis integrated with flexibility and controllability, Chinese Journal of Chemical Engineering, 27(7), 1474-1484. (SCI)

[27] Zhang, X., Zhang, L., Fung, K. Y., Rangaiah, G. P., Ng, K. M.* (2018). Product Design: Impact of Government Policy and Consumer Preference on Company Profit and Corporate Social Responsibility, Computers & Chemical Engineering, 118, 118-131. (SCI)

[26] Zhang, L.*, Kalakul, S., Liu, L., Elbashir, N. O., Du, J., & Gani, R. (2018). A Computer-Aided Methodology for Mixture-Blend Design. Applications to Tailor-Made Design of Surrogate Fuels, Industrial & Engineering Chemistry Research, 57 (20), pp 7008–7020. (SCI)

[25] Zhang, L.*, Mao, H., Liu, L., Du, J., & Gani, R. (2018). A machine learning based computer-aided molecular design/screening methodology for fragrance molecules, Computers & Chemical Engineering, 115, 295-308. (SCI)

[24] Kalakul, S., Zhang, L., Fang, Z., Choudhury, H. A., Intikhab, S., Elbashir, N., Eden, M. R., & Gani, R.* (2018). Computer aided chemical product design - ProCAPD and tailor-made blended products, Computers & Chemical Engineering, 116, 37-55. (SCI)

[23] Zhang, L., Fung, K. Y., Wibowo, C., & Gani, R.* (2018). Advances in Chemical Product Design. Reviews in Chemical Engineering, 34(3), 319-340 (SCI)

[22] Liu, L., Song, H., Zhang, L., & Du, J.* (2018). Heat-integrated water allocation network synthesis for industrial parks with sequential and simultaneous design. Computers & Chemical Engineering, 108, 408-424. (SCI, Most downloaded article)

[21] 李伟达, 刘琳琳, 张磊, 王少靖, 都健.* (2018). 基于灵敏度分析的页岩气净化流程的模拟与优化,化工学报, 69(3), 1008-1013. (EI, 第十六届中国化工学会信息技术应用专业委员会年会优秀论文)

[20] 张磊*, 刘琳琳, 都健. (2018). 替代燃油的计算机辅助设计方法, 化工进展, 37(6), 2437-2443. (EI)

2017:

[19] Zhuang, Y., Liu, L., Zhang, L., & Du, J.* (2017). Synthesis of indirect work exchange networks considering both isothermal and adiabatic process together with exergy analysis. Chinese Journal of Chemical Engineering, 26(8), 1644-1652. (SCI)

[18] Zhang, L.*, Fung, K. Y., Zhang, X., Fung, H. K., & Ng, K. M. (2017). An integrated framework for designing formulated products. Computers & Chemical Engineering, 107, 61-76. (SCI, 2017 Best Paper Award)

[17] Zhuang, Y., Liu, L., Zhang, L., & Du, J.* (2017). Direct work exchanger network synthesis of isothermal process based on improved transshipment model. Journal of the Taiwan Institute of Chemical Engineers, 81, 295-304. (SCI)

[16] Zhuang, Y., Liu, L., Zhang, L., & Du, J.* (2017). Upgraded Graphical Method for the Synthesis of Direct Work Exchanger Networks. Industrial & Engineering Chemistry Research, 56(48), 14304-14315. (SCI)

[15] Bertran, M. O., Frauzem, R., Sanchez-Arcilla, A. S., Zhang, L., Woodley, J. M., & Gani, R.* (2017). A generic methodology for processing route synthesis and design based on superstructure optimization. Computers & Chemical Engineering, 106, 892-910. (SCI, Most Cited Computers & Chemical Engineering Article)

2016:

[14] Gani, R.*, Zhang, L., Kalakul, S., & Cignitti, S. (2016). Chapter 6 - Computer-Aided Molecular Design and Property Prediction. In Computer Aided Chemical Engineering (Vol. 39, pp. 153-196). Elsevier. (CPCI)

[13] Fung, K. Y., Ng, K. M.*, Zhang, L., & Gani, R. (2016). A grand model for chemical product design. Computers & Chemical Engineering, 91, 15-27. (SCI)

[12] Zhang, L., Babi, D. K., & Gani, R.* (2016). New vistas in chemical product and process design. Annual review of chemical and biomolecular engineering, 7, 557-582. (SCI)

[11] Garcia-Herreros, P., Zhang, L., Misra, P., Arslan, E., Mehta, S., & Grossmann, I. E.* (2016). Mixed-integer bilevel optimization for capacity planning with rational markets. Computers & Chemical Engineering, 86, 33-47. (SCI)

[10] Kalakul, S., Cignitti, S., Zhang, L., & Gani, R.* (2016). Chapter 3 - VPPD-Lab: the chemical product simulator. In Computer Aided Chemical Engineering (Vol. 39, pp. 61-94). Elsevier. (CPCI)

[9] Kalakul, S., Cignitti, S., Zhang, L., & Gani, R.* (2016). Integrated computer-aided framework for sustainable chemical product design and evaluation. In Computer Aided Chemical Engineering (Vol. 38, pp. 2343-2348). Elsevier. (CPCI)

[8] Bertran, M. O., Frauzem, R., Zhang, L., & Gani, R.* (2016). A generic methodology for superstructure optimization of different processing networks. In Computer Aided Chemical Engineering (Vol. 38, pp. 685-690). Elsevier. (CPCI)

Before 2016:

[7] Zhang, L., Cignitti, S., & Gani, R.* (2015). Generic mathematical programming formulation and solution for computer-aided molecular design. Computers & Chemical Engineering, 78, 79-84. (SCI)

[6] Cignitti, S., Zhang, L., & Gani, R.* (2015). Computer-aided framework for design of pure, mixed and blended products. In Computer Aided Chemical Engineering (Vol. 37, pp. 2093-2098). Elsevier. (CPCI)

[5] Zhang, L., Wang, H., Qiu, T., & Chen, B.* (2015). Simulation and Optimization of Multi-period Steam Cracking Process. In Advances in Petrochemicals. InTech.

[4] Zhang, L., & Chen, B.* (2012). Applications of Shannon's entropy theory to naphtha pyrolysis simulation. Chemical Engineering & Technology, 35(2), 281-286. (SCI)

[3] Zhang, L., Chen, B.*, & Qiu, T. (2012). A multi-scale model of naphtha pyrolysis process. In Computer Aided Chemical Engineering (Vol. 31, pp. 120-124). Elsevier. (CPCI)

[2] 彭辉, 张磊, 邱彤*, 陈丙珍. (2011). 乙烯裂解原料等效分子组成的预测方法. 化工学报, 62(12), 3447-3451. (EI)

[1] 张磊, 陈丙珍*, 邱彤. (2011). 基于PCA的反应网络简化策略. 化工学报, 62(1), 137-141. (EI)


软件著作权


[5] DrugCAMD基于数学规划模型的高通量药物分子优化设计软件(2022SR0622099), 2022.3.27.

[4] BatchVinaGUI批量分子对接辅助软件(2022SR0240918), 2022.2.17.

[3] OptCAMD2高通量化工分子性质预测及产品设计软件(2021SR0987620), 2021.6.15.

[2] RetroSynX分子逆合成路径设计软件(2020SR1257999), 2020.7.14.

[1] OptCAMD基于数学优化模型的高通量化工分子产品设计软件(2019SR0734574), 2019.01.08.


专利


[1] 张磊刘奇磊赵雨靓都健孟庆伟吴心远一类作用于Xa因子的化合物及其应用. CN114743612A. 2022.07.12.



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