Xifan Wu


Temple University
Department of Physics
SERC 712

1925 N. 12th Street
Philadelphia, PA 19122

Phone: (215) 204-7627


My research interest lies in both the applications and algorithms of first-principles computational methods. Currently, I am particularly interested in understanding and solving physical problems in solids and liquids by exploring the locality of Wanniers orbitals. These problems include: 1. The inverse design of superlattices with desired multifunctionalities. 2. The developments and applications of order-N exact exchange based functionals (PBE0 hybrid functional, GW quasi-particle approximation, etc.).

Research Interests

  • Ferroelectric materials
  • Water Science
  • Density-Functional Theory

Honors & Awards

  • NSF Career Award, 2016 

5 most relevant publications

  • Xifan Wu, Karin M. Rabe, David Vanderbilt, "Interface enhancement of ferroelectricity in CaTiO3/BaTiO3 superlattices," submitted to Physical Review Letters, arXiv:1009.1448
  • Xifan Wu, Eric J. Walter, Andrew M. Rappe, Roberto Car and Annabella Selloni, "Hybrid density functional calculations of the band gap of GaxIn1-xN," Physical Review B 80, 115201 (2009)
  • Wei Chen, Xifan Wu, and Roberto Car, "X-ray absorption signatures of the molecular environment in water and ice," Physical Review Letters 105, 017802 (2010)
  • Xifan Wu, Annabella Selloni, and Roberto Car, "Order N implementation of exact exchange in extended insulating system," Physical Review B 79, 085102 (Editors' Suggestions and selected for synopsis in Physics) (2009)
  • Xifan Wu, Massimiliano Stengle, Karin M. Rabe, and David Vanderbilt, "Predicting polarization and nonlinear dielectric response of arbitrary perovskite superlattice sequence," Physical Review Letters 101, 087601 (Editors' Suggestions) (2008)