Jianwei Sun


Tulane University
4031 Percival Stern hall
Department of Physics and Engineering Physics
New Orleans, LA, 70118

Phone: 504-862-8701
Email: jsun@tulane.ed


Jianwei Sun received his Ph.D in physics from Tulane University in 2010 and did his postdoc work there till 2013. In 2014, he moved to the College of Science and Technology at Temple University as a Research Assistant Professor of Physics. Jianwei Sun has been working on the development of density functional theory (DFT) and its applications for almost 10 years. He has designed several efficient and accurate nonempirical functionals that are drastically different from old seminal work and stimulating the rethinking and reconstruction of the old seminal work.  

Research Interests

  • Electronic Structure Theory, Quantum Chemistry, Condensed Matter Physics, Materials Science, and Surface Science. 
  • Density functional theory (DFT) and time-dependent DFT : Meta generalized gradient approximation and its hybrid, self-interaction correction, charge transfer, strong correlation, d- and f-electron systems, band gap, excitonic effects.
  • Fundamental properties of two-dimensional (2D) materials and 3D layered materials with and without defects: Optical, electrical, magnetic, thermal, mechanical, and dielectric properties. 
  • Surface catalysis: Surface adsorption and diffussion and water splitting
  • Energy conversion and storage: Layered materials based solar cells, and Li-ion and Li-air batteries.

5 most relevant publications

  • J. Sun, J.P. Perdew, and A. Ruzsinszky, Semilocal Density Functional Obeying a Strongly-Tightened Bound for Exchange, Proc. Natl. Acad. Sci. 112, 685 (2015)
  • Z. Wang, J. Sun, Y. Chen, and C. Niu, Adsorption and Deposition of Li2O2 on TiC(111) Surface by First-Principles Calculations, J. Phys. Chem. Lett. 5, 3919 (2014)
  • B. Xiao, J. Sun, A. Ruzsinszky, and J.P. Perdew, Testing the Jacob’s Ladder of Density Functionals for Electronic Structure and Magnetism of Rutile VO2, Phys. Rev. B 90, 085134 (2014)
  • J. Sun, B. Xiao, Y. Fang, R. Haunschild, P. Hao, A. Ruzsinszky, G.I. Csonka, G.E. Scuseria, and J.P. Perdew. Density Functionals that Recognize Covalent, Metallic, and Weak Bonds, Phys. Rev. Lett. 111, 106401 (2013)
  • J. Sun, B. Xiao, and A. Ruzsinszky, Communication: Effect of the orbital-overlap dependence in the meta generalized gradient approximation, J. Chem. Phys. 137, 051101 (2012)