Sorption-Induced Structural Transition of Zeolitic Imidazolate Framework-8: A Hybrid Molecular Simulation Study von Zhang, Liling, Hu, Zhongqiao, Jiang, Jianwen

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Zeolitic imidazolate framework-8 as a reverse osmosis membrane for water desalination: Insight from molecular simulation von Hu, Zhongqiao, Chen, Yifei, Jiang, Jianwen

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A highly permeable and selective zeolitic imidazolate framework ZIF-95 membrane for H2/CO2 separation von Huang, Aisheng, Chen, Yifei, Wang, Nanyi, Hu, Zhongqiao, Jiang, Jianwen, Caro, Jürgen

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Metal–Organic Framework/Polymer Mixed-Matrix Membranes for H2/CO2 Separation: A Fully Atomistic Simulation Study von Zhang, Liling, Hu, Zhongqiao, Jiang, Jianwen

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A homochiral metal-organic framework membrane for enantioselective separation von Wang, Wenjin, Dong, Xueliang, Nan, Jiangpu, Jin, Wanqin, Hu, Zhongqiao, Chen, Yifei, Jiang, Jianwen

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Metal―organic framework supported ionic liquid membranes for CO2 capture: anion effects von GUPTA, Krishna M, YIFEI CHEN, ZHONGQIAO HU, JIANWEN JIANG

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Ionic Liquid/Metal–Organic Framework Composite for CO2 Capture: A Computational Investigation von Chen, Yifei, Hu, Zhongqiao, Gupta, Krishna M, Jiang, Jianwen

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Self-Assembly of Amphiphilic Peptide (AF)6H5K15: Coarse-Grained Molecular Dynamics Simulation von Thota, Naresh, Luo, Zhonglin, Hu, Zhongqiao, Jiang, Jianwen

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Cellulose regeneration from a cellulose/ionic liquid mixture: the role of anti-solvents von Gupta, Krishna M., Hu, Zhongqiao, Jiang, Jianwen

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Mechanistic understanding of interactions between cellulose and ionic liquids: A molecular simulation study von Gupta, Krishna M., Hu, Zhongqiao, Jiang, Jianwen

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Liquid Chromatographic Separation in Metal–Organic Framework MIL-101: A Molecular Simulation Study von Hu, Zhongqiao, Chen, Yifei, Jiang, Jianwen

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Storage and Separation of CO2 and CH4 in Silicalite, C168 Schwarzite, and IRMOF-1:  A Comparative Study from Monte Carlo Simulation von Babarao, Ravichandar, Hu, Zhongqiao, Jiang, Jianwen, Chempath, Shaji, Sandler, Stanley I

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Chiral Separation of Racemic Phenylglycines in Thermolysin Crystal: A Molecular Simulation Study von Hu, Zhongqiao, Jiang, Jianwen

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Separation of amino acids in glucose isomerase crystal: Insight from molecular dynamics simulations von Hu, Zhongqiao, Jiang, Jianwen

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Force Field for Molecular Dynamics Studies of Glycine/Water Mixtures in Crystal/Solution Environments von Gnanasambandam, Sivashangari, Hu, Zhongqiao, Jiang, Jianwen, Rajagopalan, Raj

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Molecular simulations for energy, environmental and pharmaceutical applications of nanoporous materials: from zeolites, metal-organic frameworks to protein crystals von Jiang, Jianwen, Babarao, Ravichandar, Hu, Zhongqiao

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A helical peptide confined in metal-organic frameworks: Microscopic insight from molecular simulation von Hu, Zhongqiao, Jiang, Jianwen

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Development of a force field for zeolitic imidazolate framework-8 with structural flexibility von Hu, Zhongqiao, Zhang, Liling, Jiang, Jianwen

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Molecular Dynamics Simulations for Water and Ions in Protein Crystals von Hu, Zhongqiao, Jiang, Jianwen

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Assessment of biomolecular force fields for molecular dynamics simulations in a protein crystal von Hu, Zhongqiao, Jiang, Jianwen

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