Curriculum Vitae
Education
The University of Georgia
PhD, Physical Chemistry May 2015
Dissertation: "Pushing the Ab Initio Limits for the Accurate Characterization of Small Molecular Systems"
Advisor: Henry F. Schaefer III
Nanjing University
BS, Chemistry June 2011
Thesis: "Interactions of Polymer Adsorbed Between Thin Films"
Skills
Mathematica
ChemBioDraw
Avogadro
VMD
Latex
PHOTOSHOP
ILLUSTRATOR
Languages
Work
experience
Research Assistant
2011 - present
High level ab initio computations on small molecular systems.
C++ programming of HF, MP2, CCSD(T) methods.
C/C++
Python
Fortran
Objective-C/Swift
Publications
Y. Qiu, C. Wu, W. Allen, H. F. Schaefer and J. Agarwal, “σ Bond Activation Through Tunneling: Formation of the Boron Hydride Cations BHn⁺ (n = 2, 4, 6) ”. Submitted to Phys. Chem. Chem. Phys.
Y. Qiu, A. Y. Sokolov, Y. Yamaguchi and H. F. Schaefer, “BeCH2: The Simplest Metal Carbene. High Levels of Theory” J. Phys. Chem. A, 2013, 117, 9266-9273
H. Wang, Y. Qiu, H. F. Schaefer, “Pathways for the OH + Br2 → HOBr + Br and HOBr + Br → HBr + BrO Reactions” To be submit to J. Phys. Chem. A.
H. Wang, Y. Qiu, G. Czako, H. F. Schaefer, “Reaction Pathways for OH + Cl2 → HOCl + Cl → HCl + ClO” J. Phys. Chem. A, 2015, 119, 7802-7809
Z. Jiang, C. Xu, Y. Qiu, X. Wang, D. Zhou, G. Xue, “Complex microstructures of ABC triblock copolymer thin films directed by polymer brushes based on self-consistent field theory”, Nanoscale Res. Lett. 2014, 9(1), 359
R. Wang, S. Zhang, Y. Qiu, “Hetero-structure of ABC triblock copolymer thin film on polymer-coated substrate” Polymer, 2011, 52(2), 586-592