Guo Group
Excited-state theory · ultrafast dynamics · moiré excitons
Research Directions
All ResearchThe Guo Group develops first-principles theories of excited states and ultrafast dynamics in low-dimensional quantum materials. We investigate the formation, conversion, relaxation, and collective behavior of photoexcited carriers and excitons, with atomistic simulations of moiré excitons and their dynamics as a distinctive research focus. By combining excited-state electronic-structure calculations, nonadiabatic dynamics, and many-body theory, we explore how electron–hole interactions, electron–phonon coupling, and moiré potentials govern charge and energy transfer, bright–dark exciton conversion, and exciton condensation.
Carrier dynamicsUltrafast photoexcited-carrier dynamics
Understanding charge transfer, recombination, and electron–phonon coupling in low-dimensional materials and energy-relevant interfaces.
Bose–Einstein condensationMoiré-exciton Bose–Einstein condensation
Modeling material platforms and interaction mechanisms for high-temperature condensation of moiré excitons.
Moiré excitonsFirst-principles theory of moiré excitons
Developing atomically resolved descriptions of moiré excitons and routes to control their optical and dynamical properties.
Ultrafast dynamicsUltrafast conversion and dynamics of moiré excitons
Resolving bright-to-dark exciton transfer and many-body effects with LR-TDDFT and nonadiabatic molecular dynamics.
Selected Publications
All PublicationsSelected work by Hongli Guo and collaborators.
BiSe Spin-resolved Dirac-like surface states on Bi1Se1
Spin-resolved surface states in Bi1Se1.
Black phosphorus Ultrafast energizing the parity-forbidden dark exciton in black phosphorus
Ultrafast dynamics of a parity-forbidden dark exciton in black phosphorus.
Carrier dynamics Small twist angles accelerate electron and hole transfer in MoSe2/WSe2 heterostructures
How small twist angles accelerate charge transfer in MoSe2/WSe2 heterostructures.