First-Principles Electronic Structure Theory, First Principles Molecular Dynamics, Electron Dynamics in Condensed Matters
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)
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 in materials chemistry and physics.
We are particularly interested in the use of computational methods based on first-principles theory for developing fundamental understandings in condensed matter chemistry and physics at the electronic and atomistic levels.