Main navigation | Main content
04/16/2013
Recent research from the research group of Professor
Research from Professor Jiali Gao's research group.
Fourth-year graduate student Makenzie Provorse was awarded a poster prize as one of the finalists in the 2013 Minnesota Supercomputing Institute (MSI) Research Exhibition, Thursday, April 11, 2013.
Makenzie presented her research on density functional theory simulation
of singlet fission in a monolayer of pentacene molecules, a process that
converts a singlet exciton into two triplet excitons. The process is of
particular interest because of its potential to overcome the
Shockley-Queisser limit to boost the power conversion efficiency of
solar cells. To understand the mechanism of this process, Makenzie used a
multistate density functional theory (MSDFT) to characterize the
electronic coupling between a monomer-localized, singlet excited state
and the spin-coupled, block-localized triplet excitons that has an
overall singlet spin. Her poster highlighted the MSDFT method developed
for charge transport and electronic coupling in condensed phases, and
findings on the singlet fission mechanism. Makenzie's adviser is Professor Jiali Gao. Click here to see her research poster.
This was the fourth year that MSI held this event, featuring poster presentations on research performed using MSI computing facilities. Entrants were from a variety of disciplines, and posters were judged by a panel of MSI principal investigators in two categories, physical sciences and engineering, and biological and medical sciences.