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$3.5 million for computer simulation of molecules
University of Utah chemist leads effort funded by Defense Department -
A University of Utah chemist will lead a new $3.5 million project to develop the next generation of computer simulation
technology to study collections of molecules, including their chemical reactions.
About $1.7 million of the money - awarded by the Department of Defense's Office of Naval Research - will go directly to the
University of Utah, with the rest shared by three other participating research institutions, says Gregory A. Voth, professor
of chemistry and director of the U's Center for Biophysical Modeling and Simulation.
"This new project will be devoted to the development of cutting-edge computer simulation methods to describe chemical
reactions," says Voth, who directs the effort.
For the past 35 years, chemistry, biology and materials science have enjoyed extraordinary advances in quantum mechanics (the
theory of the structure and behavior of atoms and molecules) and computer software that simulates that arrangement of atoms
in molecules and the motion of molecules.
But researchers have yet to fully develop computer simulation software with the ability to accurately describe chemical
reactivity in complicated molecular systems such as biological proteins and hydrogen fuel cells.
Voth was selected by the Office of Naval Research to lead a team of researchers to develop and add this capability to
molecular simulation software. This advance, in turn, will greatly expand the application of molecular simulation techniques
to many new scientific and engineering problems, such as the design of new sensors to detect chemical and biological warfare
agents, and new fuels for rocket propulsion, he says.
"The Office of Naval Research is interested in using computer simulation in the design of many new materials for weapons
systems, energy storage and delivery, and sensing and detection (for example, of chemical and biological warfare agents),"
Voth says. "They see computer simulation as being a logical, efficient and cost-saving basic research approach to aid in
these efforts."
The research team also includes Thomas L. Cheatham, III, a University of Utah assistant professor of medicinal chemistry and
pharmaceutics and pharmaceutical chemistry, as well as scientists from the University of California, Berkeley; the Scripps
Research Institute in La Jolla, Calif.; and Wayne State University in Detroit.
University of Utah Public Relations
201 S Presidents Circle, Room 308
Salt Lake City, Utah 84112-9017
(801) 581-6773 fax: (801) 585-3350
http://www.utah.edu/unews
Contact: Gregory Voth
professor of chemistry
801-581-7272
voth@chem.utah.edu
Lee Siegel
science news specialist
801-581-8993 (office), 801-244-5399 (cell)
leesiegel@ucomm.utah.edu
University of Utah Public Relations
http://www.ucomm.utah.edu
3.5 milioane dolari pentru computer de simulare de molecule - $3.5 million for computer simulation of molecules - articole medicale engleza - startsanatate