Weijie was born in Jiangsu, China in 1982.
He obtained his B.S. in Chemistry and Phd in Physcial Chemistry from Nanjing University (China) in 2004 and 2010, respectively,
and Phd in Biotechnology from KTH in 2011. His research interests include X-ray chemistry, spectroscopy, and simulations.
o "First-principles simulation of soft X-ray spectroscopy" Weijie Hua, Bin Gao, and Yi Luo, Progress in Chemistry, 00, 000, 2012.
o "X-ray spectroscopy of blocked alanine in water solution from supermolecular and supermolecular-continuum solvation models: A first-principles study." Weijie Hua, Yue-Jie Ai, Bin Gao, Hongbao Li, Hans Ågren and Yi Luo, Phys. Chem. Chem. Phys., 00, 000, 2012, DOI: 10.1039/C2CP40732A.
o "Understanding the Influence of Guest-Host Interactions on the Conformation of Short Peptides in a Hydrophobic Cavity: A Computational Study." Weijie Hua, Lina Xu, Yi Luo, Shuhua Li, ChemPhysChem, 12, 1325, 2011.
o "X-ray Absorption Spectra of graphenes from first-principles simulations." Weijie Hua, Bin Gao, Shuhua Li, Hans Ågren, and Yi Luo, Phys. Rev. B, 82, 155433, 2010.
o "Refinement of DNA Structures through NEXAFS Analysis: Applications on Guanine and Cytosine Nucleobases, Nucleosides and Nucleotides" Weijie Hua, Bin Gao, Shuhua Li, Hans Ågren, and Yi Luo, J. Phys. Chem. B, 114, 13214, 2010.
o "A systematic study of soft-X-ray spectra of poly(dG).poly(dC) and poly(dA).poly(dT) DNA duplexes." Weijie Hua, Hiroyuki Yamane, Bin Gao, Jun Jiang, Shuhua Li, Hiroyuki S. Kato, Maki Kawai, Takaki Hatsui, Yi Luo, Nobuhiro Kosugi, and Hans Ågren, J. Phys. Chem. B, 114, 7016, 2010.
o "Geometry optimizations and vibrational spectra of large molecules from a generalized energy-based fragmentation approach." Weijie Hua, Tao Fang, Wei Li, Jian-Guo Yu, Shuhua Li, J. Phys. Chem. A, 112, 10864, 2008.
Book chapter
o "The energy-based fragmentation approach for computing total energies, structures, and molecular properties of large systems at the ab initio levels"
in Jeffrey R. Reimers(ed.), Computational Methods for Large Systems: Electronic Structure Approaches for Biotechnology and Nanotechnology, Wei Li, Weijie Hua, Tao Fang, Shuhua Li, John Wiley & Sons, Inc., 2011, pp. 182-210.
