Small molecule-mediated control of hydroxyapatite growth: Free energy calculations benchmarked to density functional theory. - Zhijun Xu; Yang Yang; Ziqiu Wang; Donald Mkhonto; Cheng Shang; Zhi-Pan Liu; Qiang Cui; Nita Sahai (J. Comput. Chem., 2014)

Massively parallelization strategy for material simulation using high-dimensional neural network potential. - Cheng Shang; Si-Da Huang; Zhi-Pan Liu (J. Comput. Chem., 2019)