2009

"Controllable Atomistic Graphene Oxide Model and its Application in Hydrogen Sulfide Removal"
Liangliang Huang, Mykola Seredych, Teresa J. Bandosz, Adri C. T. van Duin, Xiaohua Lu, and Keith E. Gubbins
Journal of Chemical Physics, 2013, 139, 194707.

"Reactive Adsorption of Ammonia and Ammonia/Water on CuBTC Metal-Organic Framework: A ReaxFF Molecular Dynamics Simulation"
Liangliang Huang, Teresa J. Bandosz, Kaushik L. Joshi, Adri C. T. van Duin, and Keith E. Gubbins
Journal of Chemical Physics, 2013, 138, 034102.