Rapid Screening of Metal–Organic Frameworks for Propane/Propylene Separation by Synergizing Molecular Simulation and Machine Learning pubs.acs.org/doi/10.1021/ac…

Transforming CO2 into Methanol with N-Heterocyclic Carbene-Stabilized Coinage Metal Hydrides Immobilized in a Metal–Organic Framework UiO-68 pubs.acs.org/doi/10.1021/ac…

Machine Learning-Enabled Prediction and High-Throughput Screening of Polymer Membranes for Pervaporation Separation pubs.acs.org/doi/10.1021/ac…

Metallated porphyrinic metal−organic frameworks for CO2 conversion to ... sciencedirect.com/science/articl…

Recent development in machine learning of polymer membranes for liquid separation - now published in Molecular Systems Design & Engineering pubs.rsc.org/en/content/art…

Microscopic insight into anion conduction in covalent−organic framewor... sciencedirect.com/science/articl…

Research fellow positions available in molecular simulation and/or machine learning of MOFs and polymer membranes: cheed.nus.edu.sg/stf/chejj/posi…

Highly efficient CO2 conversion on a robust metal-organic framework Cu... sciencedirect.com/science/articl…

Our amazing teamwork is out Nature Materials! Molecularly engineered conjugated-polymer-framework membrane. Thanks to my supervisor Prof. Yu Han, Vincent Tung Prof. Vincent Tung, Jianwen JIANG Group Prof. Jianwen Jiang, Prof. Ingo Pinnau, and all collaborators! rdcu.be/cThft

Active learning boosted computational discovery of covalent–organic frameworks for ultrahigh CH4 storage aiche.onlinelibrary.wiley.com/doi/10.1002/ai…

Molecular design of covalent−organic framework membranes for Li /Mg2 ... sciencedirect.com/science/articl…

Rational Design of Metal-Alkoxide-Functionalized Metal–Organic Frameworks for Synergistic Dual Activation of CH4 and CO2 toward Acetic Acid Synthesis pubs.acs.org/doi/10.1021/ac…

Designing Nanofluidic Diode from a Hybrid‐Bilayer Covalent Organic Framework: Molecular Simulation Investigation onlinelibrary.wiley.com/doi/10.1002/sm…

Synergizing machine learning, molecular simulation and experiment to d... sciencedirect.com/science/articl…

Multisite Porphyrinic Metal–Organic Frameworks for Biomass Valorization: Computational Design and Mechanistic Investigation pubs.acs.org/doi/10.1021/ac…

Metal–Organic Frameworks for Water Harvesting: Machine Learning-Based Prediction and Rapid Screening pubs.acs.org/doi/10.1021/ac…

Accelerating Discovery of Water Stable Metal−Organic Frameworks by Machine Learning onlinelibrary.wiley.com/doi/10.1002/sm…

Exploiting Metal–Organic Frameworks for Vinylidene Fluoride Adsorption: From Force Field Development, Computational Screening to Machine Learning | Environmental Science & Technology pubs.acs.org/doi/10.1021/ac…