Federal Grant Award Summary

The National Science Foundation (NSF) Division of Chemistry awarded $600,001 to the University of California, Los Angeles under the Mathematical and Physical Sciences program (CFDA 47.049) on February 15, 2026, for a project completion date of January 31, 2029. Under this three-year project grant, Professor Kendall N. Houk's research team delivers computational chemistry research services utilizing quantum mechanical and molecular dynamics methods to investigate organic reaction rates and mechanisms. The primary deliverables include detailed mechanistic analyses of pericyclic reactions (cycloadditions, electrocyclizations, and sigmatropic shifts), quantitative reactivity predictions across electrophilic, nucleophilic, radical, and pericyclic reaction classes, and collaborative support for experimental chemists seeking to understand reaction selectivities and optimize yields through computational modeling.

The project generates additional value through its training mission, preparing graduate students and postdoctoral fellows as expert computational chemists capable of bridging computational and experimental research communities. The research team also delivers enzyme design predictions for collaborating enzymologists, incorporating novel quantitative models that combine Evans-Polanyi factors and diradical character analysis. These computational research services support fundamental scientific understanding of chemical reactivity while positioning trainees for careers in industrial and academic chemistry. No subawards are planned for this project.