This federal Project Grant award for $643,347, provided by the National Science Foundation (CFDA 47.049 - Mathematical and Physical Sciences), supports computational research at the University of Alabama to accelerate the design of efficient molecular catalysts. The award funds computational screening, microkinetic modeling, and kinetic analysis to identify optimal catalyst structures, compositions, and kinetics for improved activity, selectivity, and stability. The work focuses on three areas: nitrogen fixation with organometallic complexes, hydrogen activation with main group catalysts, and light-driven carbon dioxide reduction. In addition, the project develops a new advanced programming course to train undergraduate chemical engineering students for computationally-focused roles in the chemical sciences, and creates lesson plans to encourage underrepresented minority students to pursue advanced degrees. This 5-year award, effective from August 2024 to July 2029, directly supports the NSF's mission to strengthen the nation's scientific enterprise through transformative research and education.
Generated 1/28/25, 8:06 AM