The FLO-SIC Team
The FLO-SIC Center includes research teams at five universities. At Temple University, Physics professors John Perdew and Adrienn Ruzsinsky are leading the theoretical research in the Center. John and Adrienn are two of the three originators of the FLO-SIC method and John has long been a leading figure in density functional theory research.
The PIs at the University of Texas-El Paso (UTEP), Physics professors Tunna Baruah and Rajendra Zope, use DFT methods to study nanomaterials including carbon fullerenes and novel light-harvesting molecules. Tunna and Raja are also co-developers of NRLMOL, the parent of the FLO-SIC software. Tunna and Raja are responsible for developing and testing FLO-SIC.
Chemical engineering professors J. Karl Johnson and Goetz Veser and Chemistry professor Nathaniel Rosi, all at the University of Pittsburgh, are investigating schemes for using metal-organic framework (MOF) materials to achieve catalytic conversion of carbon dioxide to biofuels. Nat is an expert in MOF synthesis, Goetz specializes in laboratory characterization of catalytic reactions, and Karl uses DFT and other methods to model chemical systems. They are using a strategy of coordinated synthesis, characterization, and modeling to develop new MOF materials.
Chemistry Professor George Christou at the University of Florida is a leading researcher in the field of molecular magnets. George’s focus is in creating new 3d-4d compounds with enhanced magnetic properties that could be used in advanced applications like quantum computing.
Physics Professors Juan Peralta and Koblar Alan Jackson use DFT methods to study magnetic phenomena and the properties of atomic clusters, nanometer scale bits of matter. Alan is a co-developer of the NRLMOL code and Juan has development experience with the GAUSSIAN code. Together with the UTEP group, they are working to further refine the FLO-SIC method and make it useful for practical applications.