J. Liu* and S. T. Pantelides, Pyroelectric response and temperature-induced α-β phase transitions in α-In2Se3 and other α-III2VI3 (III = Al, Ga, In; VI = S, Se) monolayers, 2D Mater. 6, 025001 (2019).
 J. Liu*, O. B. Wani, S. M. Alhassan and S. T. Pantelides, Wettability alteration and enhanced oil recovery induced by proximal adsorption of Na+, Cl-, Ca2+, Mg2+, and SO42- ions on calcite, Phys. Rev. Appl. 10, 034064 (2018).
 J. Liu* and S. T. Pantelides, Anisotropic thermal expansion of group-IV monochalcogenide monolayers, Appl. Phys. Express 11, 101301 (2018).
 J. Liu* and S. T. Pantelides, Electrowetting on 2D dielectrics: a quantum molecular dynamics investigation, J. Phys.: Condens. Matter 30, 375001 (2018).
 J. Liu* and P. B. Allen, Internal and external thermal expansions of wurtzite ZnO from first principles, Comput. Mater. Sci. 154, 251 (2018).
 J. Liu* and S. T. Pantelides, Mechanisms of pyroelectricity in three- and two-dimensional materials, Phys. Rev. Lett. 120, 207602 (2018).
 J. Liu*, C.-Y. Lai, Y.-Y. Zhang, M. Chiesa, and S. T. Pantelides Water wettability of graphene: interplay between the interfacial water structure and the electronic structure, RSC Adv. 8, 16918 (2018).
 J. Liu*, Application of the bond valence method in the non-isovalent semiconductor alloy (GaN)1-x(ZnO)x, Modelling Simul. Mater. Sci. Eng. 24, 075014 (2016).
 J. Liu*, M. Fernández-Serra and P. B. Allen, First-principles study of pyroelectricity in GaN and ZnO, Phys. Rev. B Rapid Communication, 93, 081205(R) (2016).
 J. Liu*, M. Fernández-Serra and P. B. Allen, Special quasiordered structures: Role of short-range order in the semiconductor alloy (GaN)1-x(ZnO)x, Phys. Rev. B 93, 054207 (2016).
 J. Liu*, L. Pedroza, C. Misch, M. Fernández-Serra and P. B. Allen*, Temperature and composition dependence of short-range order and entropy, and statistics of bond length: the semiconductor alloy, J. Phys.: Condens. Matter 26, 274204 (2014).
 J. Liu and L.H. Liu*, First-principles study of temperature-dependent optical properties of semiconductors from ultraviolet to infrared regions, J. Appl. Phys. 111, 083508 (2012).