Project Grant 2620630
- Federal Project Grant Award Summary The National Science Foundation's Division of Chemistry awarded a $450,000 Project Grant to the University of Delaware, effective September 1, 2025 through August 31, 2028, under the Mathematical and Physical Sciences program (CFDA 47.049). Principal Investigator Professor William Chain and his research team will develop novel synthetic methodologies using umpolung methods to activate electron-rich aromatic compounds. The primary deliverables include the...
- Federal Grant Award Summary The National Science Foundation (NSF), Division of Chemistry, awarded a $600,000 Project Grant to the University of California, Davis under the Mathematical and Physical Sciences program (CFDA 47.049) effective September 1, 2025, through August 31, 2028. Under this award, Professor Dean Tantillo and his research team will deliver fundamental research in mechanistic organic chemistry using advanced computational chemistry methods to develop new theoretical models...
- Federal Project 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 spanning through January 31, 2029. Under the direction of Professor Kendall N. Houk, this research initiative delivers computational chemistry research and training services focused on understanding organic reaction mechanisms and rates....
- Federal Grant Award Summary This CAREER project grant of $785,000, awarded by the National Science Foundation's Division of Chemistry under the Mathematical and Physical Sciences program (CFDA 47.049), supports fundamental research conducted by Professor Pier Alexandre Champagne at the New Jersey Institute of Technology (NJIT) from September 1, 2025, through August 31, 2030. The primary deliverable is an advancement in the chemical understanding of reactive sulfur species—a class of...
- Federal Grant Award Summary The National Science Foundation's Division of Chemistry awarded the University of Georgia Research Foundation a $291,689 project grant (CFDA 47.049: Mathematical and Physical Sciences) effective October 1, 2025, through September 30, 2028, to develop and scale the Automech software suite for high-throughput generation of kinetic modeling data. The award supports transformation of computational chemistry infrastructure to automatically generate accurate chemical...
- Federal Project Grant Award Summary The National Science Foundation's Division of Chemistry is funding a collaborative research project totaling $271,435 under the Mathematical and Physical Sciences (CFDA 47.049) program, awarded on September 1, 2025, with completion targeted for August 31, 2028. Principal investigators Professor Jon Camden at the University of Notre Dame and Professor Lasse Jensen at Pennsylvania State University will conduct fundamental research combining experimental and...
- Federal Grant Award Summary The National Science Foundation's Division of Chemistry awarded a $620,000 Project Grant (CFDA 47.049, Mathematical and Physical Sciences program) to the University of California, San Diego, effective September 1, 2025 through August 31, 2028. Under this award, Professor Francesco Paesani and his team, in collaboration with Professor Mircea Dinç of Princeton University (sub-awardee receiving $310,000), are conducting research to elucidate the molecular mechanisms...
- Federal Grant Award Summary The National Science Foundation's Division of Chemistry awarded $600,000 to the University of Illinois at Urbana-Champaign under the Mathematical and Physical Sciences program (CFDA 47.049) to develop advanced computational methods for quantum mechanics simulations. Under the direction of principal investigator Nancy Makri, this three-year project (September 1, 2025 – August 31, 2028) will advance the Small Matrix Path Integral (SMATPI) methodology to enable accurate,...
- Federal Grant Award Summary The National Science Foundation's Division of Chemistry awarded $800,000 to the University of Chicago under the Mathematical and Physical Sciences program (CFDA 47.049) to support the development of multiconfiguration nonclassical-energy functional theory (MC-NEFT) for advanced electronic structure calculations. Under this three-year project grant (August 1, 2025 – July 31, 2028), principal investigators Laura Gagliardi and Donald G. Truhlar will develop and...
- Federal Project Grant Award Summary The National Science Foundation (NSF) Division of Chemistry, through the Mathematical and Physical Sciences program (CFDA 47.049), awarded $600,000 to the University of Delaware for a three-year project (July 15, 2025 – June 30, 2028) focused on developing metal-catalyzed chemical synthesis methods for preparing organoboron and organosilicon compounds. Under the direction of Professor Donald Watson, the research team is developing new transition...
The National Science Foundation (NSF) Division of Chemistry awarded a $300,000 Project Grant (CFDA 47.049, Mathematical and Physical Sciences program) to the University of Delaware under the Chemical Theory, Models and Computational Methods Program, effective April 1, 2026 through March 31, 2028. Principal Investigator Tao Li will develop a unified Artificial Intelligence (AI) agent framework for autonomous scientific simulations in computational chemistry and related disciplines. The framework will employ a four-layer progressive disclosure mechanism to enable efficient agent reasoning, allowing researchers to select appropriate computational packages and execute research-quality simulation pipelines without requiring extensive domain expertise in specific software platforms. The deliverable addresses a critical bottleneck in modern research workflows where mastery of individual computational packages demands substantial technical knowledge. The project will implement multiple computational workflows within the agent framework to facilitate autonomous simulations ranging from demonstrative calculations to large-scale computational tasks, with capability extensions for both workstation and high-performance computing cluster environments. The developed agent framework will be made openly available to the general scientific community. These efforts are intended to enable researchers to explore simulation parameter spaces more efficiently while providing the broader research community with accessible tools that democratize access to advanced computational methodologies in chemistry and related scientific fields.Federal Grant Award Summary
Mod # | Description | ReasonForModification | Federal Obligation | Date |
|---|---|---|---|---|
| Not listed | $300.0k | 3/17/26 |