Project Grant 2551109
- The National Science Foundation Division of Computing and Communication Foundations awarded Texas A&M Engineering Experiment Station $305,483 on September 1, 2026, under the Computer and Information Science and Engineering program (CFDA 47.070) for collaborative research on advanced diffusion models for molecular graph generation. The project develops generative artificial intelligence methods to accelerate molecular discovery by generating chemically meaningful molecular structures under...
- The National Science Foundation Division of Computing and Communication Foundations awarded $384,398 to the Regents of the University of Michigan on August 1, 2026, under the Computer and Information Science and Engineering program (CFDA 47.070) for theoretical and algorithmic research on diffusion models in generative artificial intelligence. The project, titled "Towards Theoretical and Algorithmic Foundations of Diffusion Models," aims to establish mathematical and computational...
- The National Science Foundation Division of Molecular and Cellular Biosciences awarded $463,037 to The Research Foundation For The State University Of New York (operating as Stony Brook University) on July 1, 2026, under the Biological Sciences program (CFDA 47.074) to develop AI-driven computational approaches for modeling large macromolecular systems and protein assembly at physiologically relevant time scales. The project combines structure-based molecular modeling, reinforcement learning,...
- The National Science Foundation Division of Chemistry awarded $503,961 to Stony Brook University on August 1, 2026, under the Mathematical and Physical Sciences program (CFDA 47.049) to develop novel catalytic technologies for regiocontrolled functionalization of aromatic compounds through synergistic computational and synthetic chemistry approaches. The project, led by Dr. Gustafson at Stony Brook and collaborating with Dr. Mao at San Diego State University, centers on designing catalysts...
- The National Science Foundation Division of Computing and Communication Foundations awarded the University of Illinois $530,625 on July 1, 2026, under the Computer and Information Science and Engineering program (CFDA 47.070) to develop multimodal generative artificial intelligence models for autonomous biomolecular design and accelerated discovery. The research will create a unified, self-improving AI framework that integrates molecular sequence and three-dimensional structure co-design with...
- The National Science Foundation Division of Chemical, Bioengineering, Environmental, and Transport Systems awarded The Research Foundation For The State University Of New York $549,292 on June 1, 2026, under the Engineering program (CFDA 47.041) for a CAREER project advancing understanding of adsorption, transport, and interpenetration in metal-organic frameworks using pore graphs. The award funds development of a computational scheme combining pore graph analysis, molecular modeling, and...
- The National Science Foundation Division of Molecular and Cellular Biosciences awarded $763,328 to the Research Foundation of the City University of New York (doing business as the Advanced Science Research Center) on June 15, 2026, under the Biological Sciences program (CFDA 47.074) to develop artificial intelligence-driven methodologies for designing dynamic protein structures. The project will test whether existing designed proteins exhibit different conformational dynamics than natural...
- The National Science Foundation Division of Computing and Communication Foundations awarded Yale University $596,523 on June 1, 2026, under the Computer and Information Science and Engineering program (CFDA 47.070) to develop non-Euclidean representation learning methods for graph-based foundation models that improve artificial intelligence's ability to model complex network-like relationships in real-world data such as biological networks and drug discovery applications. The project addresses...
- The National Science Foundation Division of Information and Intelligent Systems awarded $155,000 to The Research Foundation For The State University of New York on October 1, 2026, under the Computer and Information Science and Engineering program (CFDA 47.070) to develop data-centric artificial intelligence methods for proactive telecommunication network operations. The project runs through September 30, 2029, with performance in Albany, New York. The research organizes around three coordinated...
- The National Science Foundation awarded a $249,997 two-year Project Grant to Stony Brook University under the Computer and Information Science and Engineering federal grant program (CFDA 47.070) to support research optimizing large-scale heterogeneous machine learning platforms. The Research Foundation for the State University of New York, operating on behalf of Stony Brook University, will deliver this collaborative research project from January 2022 through December 2024. The Computer and...
The National Science Foundation Division of Computing and Communication Foundations awarded The Research Foundation for the State University of New York $316,988 on September 1, 2026, under the Computer and Information Science and Engineering program (CFDA 47.070) to develop advanced diffusion models for molecular graph generation through collaborative research. The project, performing at Stony Brook University in Stony Brook, New York, runs through August 31, 2029. Research will focus on developing generative artificial intelligence models that represent molecules as graphs where nodes and edges correspond to atoms and chemical bonds, with three-dimensional coordinates describing molecular shape. The work addresses the challenge of generating chemically meaningful structures under practical design constraints while maintaining computational efficiency and leveraging limited high-quality training data. Three connected research directions will pursue molecular structure-aware diffusion methods, resource-efficient training approaches, and integration of practical design constraints for drug discovery, materials design, sustainable energy, and manufacturing applications. The project includes education and workforce development activities spanning high school through graduate school, delivering open research tools, course materials, mentoring activities, and workshops in artificial intelligence and life sciences.
Mod # | Description | ReasonForModification | Federal Obligation | Date |
|---|---|---|---|---|
| Not listed | $317.0k | 7/24/26 |