# News

## Computational Microscope Advancement Described by Minh in Journal of Chemical Theory and Computation

Much like weather forecast models predict the trajectory of a hurricane, computational tools known as molecular dynamics simulations predict the microscopic motion of an interacting system of molecules. Molecular dynamics has sometimes been referred to as a “computational microscope” because it...

## Carlo Segre Renewed as Duchossois Leadership Professor of Physics

Carlo Segre, Duchossois Leadership Professor of Physics and interim chair of the Department of Chemistry, recently had his endowed chair renewed for another three-year term. The chair honors faculty who are exemplary in scholarship, education, and service. As Duchossois Leadership Professor, Segre...

## Juarez and Minh Groups Discover New Structural Motif in Essential Vibrio Cholerae Enzyme

The research groups of Oscar Juarez, assistant professor of biology, and David Minh, assistant professor of chemistry, have discovered a new structural motif in an essential Vibrio cholerae enzyme that could lead to important drug development. The increasing threat from multi-drug-...

## Rogachev’s Group Discovers Tool for Tuning of Magnetic Coupling between Delocalized Radicals; Results Published in Chemical Science

Andrey Rogachev, assistant professor of chemistry, and his research group discovered an efficient tool for fine-tuning magnetic coupling between delocalized radicals. This research is a continuation of previous research the group has done on quantum chemical investigations of fullerene fragments or...