Educational Background:

PhD, University of Cambridge, 2000 BA, University of Cambridge, 1996

Awards:

• 2009 ACS Award in Pure Chemistry • 2008 CMOA Promising Scientist Prize • 2008 Camille Dreyfus Teacher Scholar • 2007 Alfred P. Sloan Foundation Fellowship • 2007 Gerhard Closs Lecturer, University of Chicago • 2007 NSF CAREER Award • 2006 David and Lucile Packard Foundation Fellowship in Science and Engineering • Miller Research Fellow (2000-2002) • Todd-Croucher Junior Research Fellow (1998-2000, 2002-2004)

Research Description:

Our work is in the area of the electronic structure and dynamics of complex processes. We engage in developing new and more powerful theoretical techniques which enable us to describe strong electronic correlation problems.

Of particular theoretical interest are the construction of fast (polynomial) algorithms to solve the quantum many-particle problem, and the treatment of correlation in time-dependent processes.

A key feature of our theoretical approach is the use of modern renormalization group and multi-scale ideas. These enable us to extend the range of simulation from the simple to the complex, and from the small to the very large.

Some current phenomena under study include:
(i) Energy and electron transfer in conjugated polymers: specifically photosynthetic carotenoids, optoelectronic polymers, and carbon nanotubes,
(ii) Spin couplings in multiple-transition metal systems, including iron-sulfur proteins and molecular magnets.
(iii) Lattice models of high Tc superconductors.

Selected Publications:

Chan, G. K-L. An algorithm for large scale density matrix renormalization group calculations. J Chem Phys 2004, 120 (7), 3172.

Chan, G. K-L. and Head-Gordon, M. Exact solution (within a triple-zeta, double polarization basis set) of the electronic Schrodinger equation for water. J Chem Phys 2003, 118 (19), 8551.

Chan, G. K-L. and Head-Gordon, M. Highly correlated calculations with a polynomial cost algorithm: A study of the density matrix renormalization group. J Chem Phys 2002, 116 (11), 4462.

Chan, G. K-L. and Handy, N. C. An extensive study of gradient approximations to the exchange-correlation and kinetic energy functionals. J Chem Phys 2000, 112 (13), 5639.

Chan, G. K-L. and Handy, N. C. Optimized Lieb-Oxford bound for the exchange-correlation energy. Phys Rev A 1999, 59 (4), 3075.