Professor John Beauregard and Chris
Zoto '06: An On the Surface Look at Molecules
by
Stacey MacDonald '06
 July,
2005—Dr. John N. Beauregard ’86, assistant
professor of Chemistry, and Chris Zoto ’06
of Worcester, have been working diligently on their summer research
project. However, you won’t ever see them wearing safety goggles
or handling glass beakers. The only danger that Beauregard and Zoto
have to worry about in their research is the occasional paper cut.
This is because they are not performing actual laboratory
experiments but, instead, simulating experiments on a computer.
Recent advances in computer technology have brought computational
chemistry into the mainstream of science. Computers are now powerful
tools for modeling the behavior of real chemical systems. However,
Dr. Beauregard notes, “The process we follow is similar to
that of an experimentalist. We create our computer programs one
step at a time, much the same as an experimentalist builds an instrument.”
Beauregard and Zoto model the chemistry that occurs on solid surfaces.
Dr. Beauregard explained that many important processes involve molecules
attached to surfaces. For example, surfaces act as catalysts for
many important chemical reactions. They can also be used to filter
impurities out of the air or water. In addition, molecules attached
to a solid surface can be used to protect the surface, either by
shielding it from corrosive molecules or by acting as a lubricant.
Beauregard and Zoto draw upon research done by both experimentalists
and other theoreticians to make original, realistic computer models.
Their models simulate how gas molecules “stick” to a
surface and, in particular, how some molecules are “stickier”
than others. They are exploring the use of surfaces to separate
the different types of molecules in a mixture. Specifically, they
manipulate the surface temperature in order to control which molecules
stick and which do not. The findings of this project have real-world
applications. “People are trying to separate mixtures all
the time,” Beauregard states. “A familiar example is
a drug test, which uses a technique called chromatography to separate
the different molecules found in blood. The molecules become separated,
in part, because of their different affinities for a surface.”
Zoto is the third undergraduate student chosen to work with Dr.
Beauregard on this project, succeeding Kim Dolan ’04
and Ryan Barba ’06. Although Dr.
Beauregard had several outstanding candidates apply for the summer
research internship, he chose Zoto because he had the best background
for the project. “Computational chemistry involves computer
programming, as well as physical chemistry and mathematics. Chris
is a double major in chemistry and mathematics," he said. "In
addition, he is intelligent, conscientious, hardworking, and persistent,
which are the characteristics I was looking for in a summer intern."
After graduation, Zoto plans on attending graduate school for a
Ph.D. in organic chemistry. When asked about his experience working
with Dr. Beauregard, he states, “This project has prepared
me for coursework in graduate school. I am learning something new
everyday.”
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