Zhang Kang. CO2 Capture in rht Metal-Organic Frameworks: Multiscale Modeling from Molecular Simulation to Breakthrough Prediction .Journal of Materials Chemistry A .2015 ,3 :16327

Zhang Kang. Biofuel Purification in GME Zeolitic–Imidazolate Frameworks: from ab initio Calculations to Molecular Simulations .AIChE Journal .2015 ,61 :2763

Zhang Kang. Molecular design of zirconium tetrazolate metal-organic frameworks for CO2 capture .Crystal Growth & Design .2017 ,17 :543

Zhang Kang. Computational design of 2D functional covalent-organic framework membranes for water desalination .Environmental Science: Water Research & Technology .2017 ,3 :735

Zhang Kang. Adsorption of C1–C4 Alcohols in Zeolitic Imidazolate Framework-8: Effects of Force Fields, Atomic Charges, and Framework Flexibility .The Journal of Physical Chemistry C .2013 ,117 :25628

Zhang Kang. Biofuel Purification in Zeolitic Imidazolate Frameworks: the Significant Role of Functional Groups .Physical Chemistry Chemical Physics .2014 ,16 :9643