[Faculty] Fwd: [SDSU-CSRC COLLOQUIUM]: "Shining a Light on Photochemistry with Computational Chemistry"

[Jose Castillo]

[image: cid:image001.jpg at 01D3A3DE.7CF4C6C0]

DATE:  *Friday, April 20, 2018*



TITLE:  *Shining a Light on Photochemistry with Computational Chemistry*



TIME:  *3:30PM*



LOCATION:  *GMCS 314*



SPEAKER:  *Andrew Petit*
*, ProfessorDepartment of Chemistry and Biochemistry, CSU Fullerton*



ABSTRACT:
Nobel laureate Paul Dirac famously wrote in 1929 “The underlying physical
laws necessary for the mathematical theory of a large part of physics and
the whole of chemistry are thus completely known, and the difficulty is
only that the exact application of these laws leads to equations much too
complicated to be soluble. It therefore becomes desirable that approximate
practical methods of applying quantum mechanics should be developed, which
can lead to an explanation of the main features of complex atomic systems
without too much computation.” Nearly 90 years later, a great deal of
progress has been made in developing the computational machinery necessary
to apply quantum mechanics to chemical problems in a way that can not only
aid in the interpretation of existing experiments but also make predictions
about unstudied systems.

In this talk, I will focus on two examples of research projects currently
underway in my research group at California State University, Fullerton.
The first of these involves understanding the photochemistry of kynurenine,
a molecule found in the lens of our eyes, which transforms harmful
ultraviolet (UV) light into harmless heat with incredible efficiency and
speed. Understanding how this and related molecules function may influence
the development of new sunscreens, UV-protective coatings, and dyes. The
second example involves a collaborative project with Peter de Lijser’s
laboratory in which we aim to determine the molecular pathways through
which a family of reactive intermediates cyclize to form new molecules with
complicated ring structures. As will be discussed, this reaction represents
a new, environmentally friendly route towards making molecular structures
that are commonly found in pharmaceuticals. Throughout my talk, I will
highlight how the key computational approaches work as well as how I made
informed decisions about the major approximations. HOST:  Andrew Cooksy







Dr. Jose E. Castillo
Director/Professor
Computational Science Research Center
5500 Campanile Drive
San Diego State University
San Diego, CA  92182-1245
(619) 59407205/3430, FAX (619) 594-2459





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