ProfessorCaudill Laboratories 18
Theoretical/Computational Chemistry, Chemical and Material Physics, Condensed Matters, First-Principles Electronic Structure Theory
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.
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 investigate how the spin-orbit-coupling-induced lifting of the spin degeneracy depends indirectly on constituting organic motifs in two-dimensional hybrid organic-inorganic perovskites.
First-principles dynamics simulation is used to study how excited electron dynamics in a type-II semiconductor–molecule interface is affected when the surface of a bulk semiconductor is replaced with that of a quantum dot.