| A general picture of cucurbit [8] uril host–guest binding Z Sun, Z Huai, Q He, Z Liu Journal of chemical information and modeling 61 (12), 6107-6134, 2021 | 40 | 2021 |
| A principle of stream arrangement based on uniformity factor for heat exchanger networks synthesis Q He, G Cui Applied thermal engineering 61 (2), 93-100, 2013 | 28 | 2013 |
| SAMPL6 host–guest binding affinities and binding poses from spherical-coordinates-biased simulations Z Sun, Q He, X Li, Z Zhu Journal of Computer-Aided Molecular Design 34, 589-600, 2020 | 27 | 2020 |
| Sulfur-substitution-induced base flipping in the DNA duplex Z Sun, X Wang, JZH Zhang, Q He Physical Chemistry Chemical Physics 21 (27), 14923-14940, 2019 | 27 | 2019 |
| BAR-based multi-dimensional nonequilibrium pulling for indirect construction of a QM/MM free energy landscape X Wang, Q He, Z Sun Physical Chemistry Chemical Physics 21 (12), 6672-6688, 2019 | 27 | 2019 |
| Molecular Modeling of Ionic Liquids: Force‐Field Validation and Thermodynamic Perspective from Large‐Scale Fast‐Growth Solvation Free Energy Calculations Z Sun, M Wang, Q He, Z Liu Advanced Theory and Simulations 5 (9), 2200274, 2022 | 16 | 2022 |
| Seeding the multi-dimensional nonequilibrium pulling for Hamiltonian variation: indirect nonequilibrium free energy simulations at QM levels Z Sun, Q He Physical Chemistry Chemical Physics 24 (15), 8800-8819, 2022 | 14 | 2022 |
| Model-based process design of a ternary protein separation using multi-step gradient ion-exchange SMB chromatography QL He, E von Lieres, Z Sun, L Zhao Computers & chemical engineering 138, 106851, 2020 | 14 | 2020 |
| Efficient numerical simulation of simulated moving bed chromatography with a single-column solver QL He, S Leweke, E von Lieres Computers & Chemical Engineering 111, 183-198, 2018 | 12 | 2018 |
| Molecular modelling of ionic liquids: Physical properties of species with extremely long aliphatic chains from a near-optimal regime Z Sun, A Kayal, Z Gong, L Zheng, Q He Journal of Molecular Liquids 367, 120492, 2022 | 11 | 2022 |
| Bayesian inference based process design and uncertainty analysis of simulated moving bed chromatographic systems QL He, L Zhao Separation and Purification Technology 246, 116856, 2020 | 11 | 2020 |
| A General Picture of Cucurbit [8] uril Host–Guest Binding: Recalibrating Bonded Interactions Z Sun, Q He, Z Gong, P Kalhor, Z Huai, Z Liu Molecules 28 (7), 3124, 2023 | 5 | 2023 |
| Application of Memetic Particle Swarm Optimization to Continuous Variable Global Optimization of Cost-Optimal Heat Exchanger Networks Q HE, G CUI, H XU Petrochemical Technology 43 (1), 2014 | 5* | 2014 |
| A General Picture of Cucurbit [8] uril Host-Guest Binding: Recalibrating Bonded Interactions Z Sun, Q He, G Zhihao, K Payam, Z Huai, Z Liu ChemRxiv, 2021 | 4 | 2021 |
| Influent of optimization order of heat exchanger on the global optimization result of heat exchanger networks [J] X HU, G CUI, H XU, Q HE Chemical Industry and Engineering Progress 5 (31), 006, 2012 | 3* | 2012 |
| Identification of the coupled fouling mechanism involved in microfiltration of tobacco extracts liquid by multistage Hermia model M Gao, Q He, H Dong, J Wang, J Shi, C Xie, YM Lo, L Zhao Journal of Food Process Engineering 45 (2), e13961, 2022 | 2 | 2022 |
| Seeding the Multi-dimensional Nonequilibrium Pulling for Hamiltonian Variation: Indirect QM/MM Free Energy Simulations Z Sun, Q He | 2 | 2021 |
| Accurate modelling of pyrrolidinium ionic liquids with charge and vdW scaling Z Sun, X Liu, L Zheng, T Cheng, P Kalhor, Z Huai, Q He, Y Li Journal of Molecular Liquids 386, 122541, 2023 | 1 | 2023 |
| Clustering-based convergence diagnostic for multi-modal identification in parameter estimation of chromatography model with parallel MCMC YC Zhu, Z Sun, QL He arXiv preprint arXiv:2107.07203, 2021 | 1 | 2021 |
| Chemical accuracy prediction of molecular solvation and partition in ionic liquids with educated estimators Z Zhang, X Wang, Q He, Z Sun Journal of Molecular Liquids 391, 123202, 2023 | | 2023 |
