Theoretical and Computational Chemistry

Our group develops theoretical methods that can treat various quantum and classical degrees of freedom on a consistent dynamical footing. In particular, we are interested in developing new non-adiabatic quantum dynamics approaches based on real-time and imaginary-time path-integral formalism. Combined with accurate and scalable electronic structure methods, such as quantum-embedding approach, these dynamical tools are then used to investigate ab-initio non-adiabatic dynamics in solar energy harvesting and storage processes. These new simulation techniques will allow us to gain a deeper understanding of the fundamental reaction mechanisms and provide design principles that lead to more efficient solar devices.

null

Organic Photovoltaics

null

Path-Integral Method Development

null

Photoinduced Quantum Dynamics

color
http://sas.rochester.edu/chm/groups/huo/wp-content/themes/maple/
http://sas.rochester.edu/chm/groups/huo/
#d8d8d8
style1
paged
Loading posts...
/www_vol/data/sas-data/chm/groups/huo/
#
on
none
loading
#
Sort Gallery
on
yes
yes
off
off
off