Ken Jordan Research Highlight

kenjordan-imageDensity functional theory has evolved into the most widely used method for the computational characterization of the electronic structure of complex materials. However it is well known that standard DFT methods do not describe long-range dispersion interaction. Recently Ken Jordan, co-director of SaM, his student Ozan Karalti and Wissam Al-Saidi of Chemical Engineering at Pitt, introduced an extended method originally introduced by Rothlesberger and co-workers for connecting DFT for long-range dispersion interactions. As of March 10, this was the 4th most downloaded paper in Chemical Physics Letters over the past 90 days. [O. Karalti, W. A. Al-Saidi, and K. D. Jordan, Chemical Physics Letters 591, 133-137 (2014)]