Temple
University offers an exciting range of research
opportunities in theoretical physical chemistry. The
faculty in this field include both Dr.
Matsika and Dr.
Spano.
Researchers
develop and use state of the art theoretical methods
to understand molecular electronic structure and
dynamics, as well as excited state structure and
dynamics in collective assemblies of molecules
such as molecular aggregates, films and crystals.
A
common theme of theoretical problems under investigation
is the study of excited states and the interaction
of matter with light. Nonadiabatic processes,
which play an important role in essential processes
in nature such as photosynthesis, vision, charge
transfer and photochemistry, are central in our
research. Nonadiabatic processes are also a major
concern in understanding organic electronic devices,
specifically charge and energy transport in organic-based
transistors and light-emitting diodes. Current
topics of interest include nonadiabatic processes
in biologically relevant systems, optical excitations
in conjugated oligomer and polymer aggregates
and films, and molecular orientation/quantum state
control.
The
experimental physical chemistry group at Temple
and the Center for Advanced Photonics Research
(CAPR) in the Chemistry Department provide an
excellent environment for collaborations and intellectual
stimulation. Computational facilities in the department
include a linux cluster with several nodes, as
well as several workstations.
You
are invited to contact any one of us for further
information.
Recent
publications include:
Xu
ZR.; S. Matsika, "Combined Multireference
Configuration Interaction/Molecular Dynamics Approach
for Calculating Solvatochromic Shifts: Application
to the n(0)- pi* Electronic Transition of Formaldehyde".
Journal of Physical Chemistry A 110 (43):
12035-12043 (2006).
Spano
FC. "Excitons in conjugated oligomer aggregates,
films, and crystals". Annual Review of
Physical Chemistry 57: 217-243 (2006).
S.
Matsika. "Three-State Conical Intersections
in Nucleic Acid Bases". Journal of Physical
Chemistry A 109 (33): 7538-7545 (2005).
Kirova
T.; Spano FC. "Designing molecular eigenstates
in a four-level Lambda system". Physical
Review A 71 (6): Art. No. 063816 (2005).
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