Yosuke Kanai

Yosuke Kanai


   Caudill Laboratories 18
  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

Presented here are high-precision all-electron RT-TDDFT and it-TDDFT implementations within a numerical atom-centered orbital (NAO) basis function framework in the FHI-aims code.


We demonstrate nonadiabatic Thouless pumping of electrons in trans-polyacetylene in the framework of Floquet engineering using first-principles theory. We identify the regimes in which the quantized pump is operative with respect to the driving electric field for a time-dependent Hamiltonian.