| Hierarchical Co3O4 Nanofiber–Carbon Sheet Skeleton with Superior Na/Li‐Philic Property Enabling Highly Stable Alkali Metal Batteries S Li, Q Liu, J Zhou, T Pan, L Gao, W Zhang, L Fan, Y Lu Advanced Functional Materials 29 (19), 1808847, 2019 | 194 | 2019 |
| OptCAMD: an optimization-based framework and tool for molecular and mixture product design Q Liu, L Zhang, L Liu, J Du, AK Tula, M Eden, R Gani Computers & Chemical Engineering 124, 285-301, 2019 | 99 | 2019 |
| Chemical product design–recent advances and perspectives L Zhang, H Mao, Q Liu, R Gani Current Opinion in Chemical Engineering 27, 22-34, 2020 | 95 | 2020 |
| High‐Efficacy and Polymeric Solid‐Electrolyte Interphase for Closely Packed Li Electrodeposition S Li, Q Liu, W Zhang, L Fan, X Wang, X Wang, Z Shen, X Zang, Y Zhao, ... Advanced science 8 (6), 2003240, 2021 | 65 | 2021 |
| Machine learning‐based atom contribution method for the prediction of surface charge density profiles and solvent design Q Liu, L Zhang, K Tang, L Liu, J Du, Q Meng, R Gani AIChE Journal 67 (2), e17110, 2021 | 52 | 2021 |
| Computer-aided reaction solvent design based on transition state theory and COSMO-SAC Q Liu, L Zhang, L Liu, J Du, Q Meng, R Gani Chemical Engineering Science 202, 300-317, 2019 | 46 | 2019 |
| A grand product design model for crystallization solvent design S Chai, Q Liu, X Liang, Y Guo, S Zhang, C Xu, J Du, Z Yuan, L Zhang, ... Computers & Chemical Engineering 135, 106764, 2020 | 42 | 2020 |
| Cation replacement method enables high-performance electrolytes for multivalent metal batteries S Li, J Zhang, S Zhang, Q Liu, H Cheng, L Fan, W Zhang, X Wang, Q Wu, ... Nature Energy 9 (3), 285-297, 2024 | 41 | 2024 |
| Step-wise synthesis of work exchange networks involving heat integration based on the transshipment model Y Zhuang, L Liu, Q Liu, J Du Chinese Journal of Chemical Engineering 25 (8), 1052-1060, 2017 | 30 | 2017 |
| An accurate and universal protein-small molecule batch docking solution using Autodock Vina X Che, Q Liu, L Zhang Results in Engineering, 0 | 28* | |
| Constructing a Phosphating–Nitriding Interface for Practically Used Lithium Metal Anode S Li, Q Liu, X Wang, Q Wu, L Fan, W Zhang, Z Shen, L Wang, M Ling, Y Lu ACS Materials Letters 2 (1), 1-8, 2019 | 21 | 2019 |
| Computer-aided reaction solvent design considering inertness using group contribution-based reaction thermodynamic model Q Liu, L Zhang, K Tang, Y Feng, J Zhang, Y Zhuang, L Liu, J Du Chemical Engineering Research and Design 152, 123-133, 2019 | 18 | 2019 |
| A computational toolbox for molecular property prediction based on quantum mechanics and quantitative structure-property relationship Q Liu, Y Jiang, L Zhang, J Du Frontiers of Chemical Science and Engineering 16 (2), 152-167, 2022 | 13 | 2022 |
| RetroSynX: A retrosynthetic analysis framework using hybrid reaction templates and group contribution-based thermodynamic models W Wang, Q Liu, L Zhang, Y Dong, J Du Chemical Engineering Science 248, 117208, 2022 | 12 | 2022 |
| De novo drug design framework based on mathematical programming method and deep learning model Y Zhao, Q Liu, X Wu, L Zhang, J Du, Q Meng AIChE Journal 68 (9), e17748, 2022 | 11 | 2022 |
| Profiling the structural determinants of aryl benzamide derivatives as negative allosteric modulators of mGluR5 by in silico study Y Zhao, J Chen, Q Liu, Y Li Molecules 25 (2), 406, 2020 | 10 | 2020 |
| ConvPred: A deep learning‐based framework for predictions of potential organic reactions W Wang, Q Liu, Y Dong, J Du, Q Meng, L Zhang AIChE Journal 69 (5), e18019, 2023 | 9 | 2023 |
| Computer‐assisted synthetic planning considering reaction kinetics based on transition state automated generation method Q Liu, K Tang, L Zhang, J Du, Q Meng AIChE Journal 69 (7), e18092, 2023 | 8 | 2023 |
| A virtual screening framework based on the binding site selectivity for small molecule drug discovery X Che, Q Liu, F Yu, L Zhang, R Gani Computers & Chemical Engineering 184, 108626, 2024 | 7 | 2024 |
| Machine learning methods for developments of binding kinetic models in predicting protein‐ligand dissociation rate constants Y Zhao, Q Liu, J Du, Q Meng, L Zhang Smart Molecules, e20230012, 2023 | 6 | 2023 |
Lei ZhangProfessor, Dalian University of TechnologyEmail yang diverifikasi di dlut.edu.cn