Yosuke Kanai

Yosuke Kanai

Professor

   Caudill Laboratories 18
   919-962-3891
   ykanai@unc.edu
  Group Website
  Curriculum Vitae


Research Interests

Theoretical/Computational Chemistry, Chemical and Material Physics, Condensed Matters, First-Principles Electronic Structure Theory


Research Synopsis

Developing a quantitative and predictive understanding of how novel dynamical phenomena emerge in materials and in other condensed phase systems from first-principles microscopic quantum theory is the central theme in our research. Research projects in the Kanai group are primarily in the field of first-principles electronic structure methods and their applications to condensed matter systems. We are particularly interested in the development and use of computational methods based on first-principles electronic structure theory for developing fundamental understandings in condensed matter chemistry and physics at the electronic and atomistic levels.

Professional Background

B.S., The University of Tennessee, Knoxville, 2001; Ph.D., Princeton University, 2006; BNNI Postdoctoral Scholar, The University of California, Berkeley, 2006-2009; Lawrence Fellow, Lawrence Livermore National Laboratory, 2009-2011


News & Publications

We present an accurate computational approach to calculate absolute K-edge core electron excitation energies as measured by X-ray absorption spectroscopy.

 

In this work, we present a strategy to implement the NEO method for periodic electronic structure calculations, particularly focused on multicomponent density functional theory (DFT).