A systematic approach for synthesizing combined mass and heat exchange networks. - Linlin Liu; Jian Du 003; Mahmoud M. El-Halwagi; José María Ponce-Ortega; Pingjing Yao (Comput. Chem. Eng., 2013)

Synthesis of water networks for industrial parks considering inter-plant allocation. - Linlin Liu; Jian Wang; Haodong Song; Jian Du 003; Fenglin Yang (Comput. Chem. Eng., 2016)

Multi-period water network management for industrial parks considering predictable variations. - Linlin Liu; Jian Wang; Haodong Song; Jian Du 003; Fenglin Yang (Comput. Chem. Eng., 2017)

Heat-integrated water allocation network synthesis for industrial parks with sequential and simultaneous design. - Linlin Liu; Haodong Song; Lei Zhang 040; Jian Du 003 (Comput. Chem. Eng., 2018)

A machine learning based computer-aided molecular design/screening methodology for fragrance molecules. - Lei Zhang 040; Haitao Mao; Linlin Liu; Jian Du 003; Rafiqul Gani (Comput. Chem. Eng., 2018)

OptCAMD: An optimization-based framework and tool for molecular and mixture product design. - Qilei Liu; Lei Zhang 040; Linlin Liu; Jian Du 003; Anjan Kumar Tula; Mario R. Eden; Rafiqul Gani (Comput. Chem. Eng., 2019)

A grand product design model for crystallization solvent design. - Shiyang Chai; Qilei Liu; Xinyuan Liang; Yansuo Guo; Song Zhang; Chengqiu Xu; Jian Du 003; Zhihong Yuan; Lei Zhang 040; Rafiqul Gani (Comput. Chem. Eng., 2020)

Design and comparison of conventional and side-stream extractive distillation sequences for separating the methanol-toluene binary azeotrope with intermediate boiling entrainer. - Chao Wang; Yu Zhuang; Linlin Liu; Lei Zhang 040; Jian Du 003 (Comput. Chem. Eng., 2020)

Optimization-based approach for CO2 utilization in carbon capture, utilization and storage supply chain. - Shuai Zhang; Yu Zhuang; Linlin Liu; Lei Zhang 040; Jian Du 003 (Comput. Chem. Eng., 2020)

An enhanced superstructure-based model for work-integrated heat exchange network considering inter-stage multiple utilities optimization. - Yu Zhuang; Yafeng Xing; Lei Zhang 040; Linlin Liu; Jian Du 003; Shengqiang Shen (Comput. Chem. Eng., 2021)

Stochastic programming-based mathematical model and solution strategy for chemical production scheduling with processing time uncertainty. - Jingxing Gao; Linlin Liu; Yachao Dong; Lei Zhang 040; Yu Zhuang; Jian Du 003 (Comput. Chem. Eng., 2022)

Multi-objective optimization and comparison of the entrainer-assisted pressure-swing distillation and extractive distillation separation sequences for separating a pressure-insensitive binary azeotrope. - Yutao Qin; Yu Zhuang; Chao Wang; Lei Zhang 040; Linlin Liu; Jian Du 003 (Comput. Chem. Eng., 2022)

Mixture-of-Experts Based Dissociation Kinetic Model for De Novo Design of HSP90 Inhibitors with Prolonged Residence Time. - Yujing Zhao; Lei Zhang 040; Jian Du 003; Qingwei Meng; Li Zhang; Heshuang Wang; Liang Sun; Qilei Liu (J. Chem. Inf. Model., 2024)

Temperature-Dependent Small-Molecule Solubility Prediction Using MoE-Enhanced Directed Message Passing Neural Networks. - Lixiang Guo; Yujing Zhao; Qilei Liu; Lei Zhang 040; Jian Du 003; Qingwei Meng (J. Chem. Inf. Model., 2025)