Computational Chemistry
Peter Pulay, Distinguished Professor of Chemistry, Tomasz Janowksi, and colleagues use Arkansas high performance computing resources to compute fundamental properties of chemicals. This illustration shows the T-shape configuration of the coronene molecule used in high level ab initio calculations that determine the binding energy of the coronene dimer. Calculations by the Pulay group have application to the development of formulas for new drugs. Bigger systems under investigation involve the study of DNA intercalation and DNA base pair interactions.
View more information at Dr. Pulay's research web site.
Computational Condensed Matter Physics Group (CCMP)
Research by Laurent Bellaiche, Distinguished Professor of Physics, Sergey Prosandeev, and his colleagues use effective Hamiltonian techniques to investigate the effects of quantum vibrations on materials at the nanoscale level. They have discovered that these vibrations suppress the paraelectric-to-ferrotoriodic transition, or equivalently, wash out the formation of vortex states. These materials have application to the development of new computer memory technology that is 10,000 times more dense than current technologies.
View more information about the Computational Condensed Matter Physics Group.
Geospatial Science
Jackson Cothren, Director of the Center for Advanced Spatial Technologies, Fred Limp, and colleagues develop new techniques for processing very complex sets of spatial data. Features are extracted from images and matched with features from a variety of sources. Arkansas high performance computing resources will be used to stitch a set of unorganized images into a much larger mosaic.
View more information at the CAST site.
Last updated: October 20, 2009