This Federal Project Grant award from the National Science Foundation (NSF) Division of Chemistry, under the Mathematical and Physical Sciences (CFDA 47.049) federal grant program, supports the development of new computational methods and simulation tools for modeling molecular polaritons - hybrid states formed by the interaction between molecules and confined light. The $449,457 award to the University of Delaware, with a project period from May 1, 2025 to April 30, 2028, aims to enable more accurate modeling of polariton chemistry in realistic experimental conditions. Key research efforts include implementing mesoscale molecular dynamics simulations to describe vibrational strong coupling, developing first-principles simulation approaches for electronic excited-state dynamics under strong coupling, and creating a semiclassical computational electrodynamics approach to model bulk molecular ensembles. The goal is to advance the theoretical understanding of how strong light-matter interactions influence molecular processes, with potential applications in fields such as plasmonic catalysis and plasmon-enhanced spectroscopy. No sub-awards are planned under this grant.
Mod # | Description | Reason For Modification | Federal Obligation (Click to sort descending) | Date (Click to sort ascending) |
|---|---|---|---|---|
| Not listed | $449.5k | 3/27/25 |