Xifan WuAssociate Professor of PhysicsPh.D., Rutgers UniversitySERC, Room 712

Research Interests
My research interest lies in both the applications and algorithms of firstprinciples 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 orderN exact exchange based functionals (PBE0 hybrid functional, GW quasiparticle approximation, etc.).
Key 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 GaxIn1xN," Physical Review B 80, 115201 (2009).
Wei Chen, Xifan Wu, and Roberto Car, "Xray 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).
Xifan Wu, Oswaldo Diéguez, Karin M. Rabe, and David Vanderbilt, "Wannierbased denition of layer polarizations in perovskite superlattices," Physical Review Letters 97, 107602 (2006).
Xifan Wu, Eric J. Walter, Andrew M. Rappe, Roberto Car and Annabella Selloni, "Hybrid density functional calculations of the band gap of GaxIn1xN," Physical Review B 80, 115201 (2009).
Wei Chen, Xifan Wu, and Roberto Car, "Xray 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).
Xifan Wu, Oswaldo Diéguez, Karin M. Rabe, and David Vanderbilt, "Wannierbased denition of layer polarizations in perovskite superlattices," Physical Review Letters 97, 107602 (2006).