Project Grant 2453210
- This National Science Foundation project grant of $550,461 will fund research at the University of California, Davis from July 2022 to June 2025 under the Mathematical and Physical Sciences program (CFDA 47.049). Professor Tantillo of the UC Davis Department of Chemistry will use computational chemistry methods to advance the fundamental understanding of reaction mechanisms and reactivity principles in organic chemistry. Specifically, the research will construct new mechanistic models to explain...
- This National Science Foundation project grant of $1.6 million supports computational chemistry research at the University of California, Los Angeles from August 2022 to July 2025 under the Mathematical and Physical Sciences federal grant program (CFDA 47.049). Professor K.N. Houk and colleagues will develop new computational methods to understand organic reaction rates, mechanisms, and selectivity through quantum mechanics and molecular dynamics simulations. They will also perform computational...
- This Project Grant award of $510,759 from the National Science Foundation (NSF) Division of Chemistry supports a research collaboration led by Professors Andrew Mitchell of Illinois State University and Dean Tantillo of UC-Davis. The goal is to develop new chemical reactions with connections to biology, medicine, physics, materials, and environmental sustainability. Key products include: Advancing oxidopyrylium-based [5+2] cycloaddition reactions to construct important heterocyclic small...
- This $493,008 Project Grant awarded by the National Science Foundation's (NSF) Mathematical and Physical Sciences program (CFDA 47.049) will support research by the University of California, Davis (UC Davis) to study chemical reactions in the interstellar medium using a computational method called the Retrosynthetic Nanoreactor (RNR). The research will aim to understand the formation and destruction of organic compounds in astronomical environments through first-principles molecular dynamics...
- The National Science Foundation Division of Chemistry awarded Texas A & M University a $500,000 Project Grant under the Mathematical and Physical Sciences program (CFDA 47.049) to support research titled "D3SC: DYNAMIC EFFECTS IN ORDINARY ORGANIC REACTIONS IN SOLUTION" from July 1, 2021 to June 30, 2024. The grant funds research investigating dynamic effects in ordinary organic reactions occurring in solution. The Mathematical and Physical Sciences program aims to promote...
- The National Science Foundation Division of Chemistry awarded a $650,000 Project Grant to the Massachusetts Institute of Technology from March 1, 2022 to February 28, 2027. The grant funds the development of novel domain-tailored machine learning tools for organic reaction development and discovery under the Mathematical and Physical Sciences program (CFDA 47.049). The grant supports research to increase the store of scientific knowledge and enhance understanding of major problems confronting...
- The National Science Foundation (NSF) Division of Chemistry awarded a $530,000 Project Grant to the University of California, Berkeley under the Mathematical and Physical Sciences program (CFDA 47.049) to develop new computer simulation models for studying light-driven chemical processes. The three-year grant, effective September 1, 2023, will enable the Neuscamman research group to create advanced tools for accurately simulating the movement of electrons and molecules in response to light...
- This Project Grant award from the National Science Foundation's (NSF) Mathematical and Physical Sciences program (CFDA 47.049) provides $649,997 to a research team at Oregon State University (OSU) to develop computational models and tools that can efficiently elucidate the factors governing selectivity and reactivity in complex synthetic chemical transformations. The project aims to create mathematical models based on topological electron density descriptors derived from computed transition...
- This $550,000 National Science Foundation project grant supports research into the role of non-covalent interactions in the excited state dynamics of heterocyclic compounds. Funded under the NSF's Mathematical and Physical Sciences program (CFDA 47.049), Professor de Vries at the University of California, Santa Barbara will experimentally study how such compounds respond to ultraviolet radiation using gas phase spectroscopy. Computational chemists will model the results to compare quantum...
- This $575,000 Project Grant from the National Science Foundation's Division of Chemistry, under the Mathematical and Physical Sciences program (CFDA 47.049), will fund research at the University of California, San Diego to synthesize and study the reactivity of unusual main group elements stabilized by transition metal isocyanide complexes, from July 1, 2023 to June 30, 2026. Specifically, Professor Joshua S. Figueroa will manipulate boron monofluoride and diphosphorus molecules, which are...
This Project Grant award from the National Science Foundation's (NSF) Division of Chemistry, under the Mathematical and Physical Sciences federal grant program (CFDA 47.049), provides $600,000 to Professor Dean Tantillo of the University of California, Davis Department of Chemistry. The funding supports research to explore the limits of reactivity principles for organic reactions using modern computational chemistry methods. The goal is to provide a fundamental understanding of factors that control reactivity, including non-statistical dynamic effects, to predict laboratory reaction outcomes. In addition to advancing knowledge in mechanistic organic chemistry, the project will train students in multidisciplinary approaches to mechanistic chemistry and expose them to related careers. Educational resources will also be developed and widely distributed. The award period runs from Sep 1, 2025 to Aug 31, 2028.
Mod # | Description | ReasonForModification | Federal Obligation | Date |
|---|---|---|---|---|
| Not listed | $600.0k | 8/26/25 |