Education: Ph.D., 2014 — University of Wisconsin, Madison B.S., 2009 — University of Science and Technology of China

Theoretical chemistry: Developing and applying multi-scale modeling methods to understand the structure, dynamics and spectroscopy of complex condensed-phase molecular systems.

A model of charge-transfer excitons: diffusion, spin dynamics, and magnetic field effects. C. K. Lee, L. Shi, and A. P. Willard. J. Phys. Chem. Lett. 7 (2016) 2246. Heavy snow: IR spectroscopy of isotope mixed crystalline water ice. A. Wong, L. Shi, R. Auchettl, D. McNaughton, D. R. T. Appadoo, and E. G. Robertson. Phys. Chem. Chem. Phys. 18 (2016) 4978. Two-dimensional infrared spectroscopy of neat ice Ih. L. Shi, J. L. Skinner, and T. L. C. Jansen. Phys. Chem. Chem. Phys. 18 (2016) 3772. Nanoscale transport of charge-transfer states in organic donor-acceptor blends. P. B. Deotare, W. Chang, E. Hontz, D. N. Congreve, L. Shi, P. D. Reusswig, B. Modtland, M. E. Bahlke, C. K. Lee, A. P. Willard, V. Bulovic, T. Van Voorhis, and M. A. Baldo. Nat. Mater. 14 (2015) 1130. Mixed quantum/classical approach to OH-stretch inelastic incoherent neutron scattering spectroscopy for ambient and supercooled liquid water and ice Ih. L. Shi, and J. L. Skinner. J. Chem. Phys. 143 (2015) 014503. Reparametrized E3B (explicit three-body) water model using the TIP4P/2005 model as a reference. C. J. Tainter, L. Shi, and J. L. Skinner. J. Chem. Theory Comput. 11 (2015) 2268. Dielectric constant and low-frequency infrared spectra for liquid water and ice Ih within the E3B model. L. Shi, Y. Ni, S. E. P. Drews, and J. L. Skinner. J. Chem. Phys. 141 (2014) 084508. Resonant vibrational energy transfer in ice Ih. L. Shi, F. Li, and J. L. Skinner. J. Chem. Phys. 140 (2014). 244503. Structure and OH-stretch spectroscopy of low- and high-density amorphous ices. C. J. Tainter, L. Shi, and J. L. Skinner. J. Chem. Phys. 140 (2014) 134503.