Project Grant 2312005
- Professor Anne B. McCoy of the University of Washington will receive $510,000 from the National Science Foundation's (NSF) Mathematical and Physical Sciences program under a three-year Project Grant award to develop theoretical and computational tools to explore nuclear quantum effects in hydrogen-bonded systems. Specifically, Professor McCoy and her research group will further develop vibrational perturbation theory and diffusion Monte Carlo approaches to study how nuclear quantum effects are...
- The University of California, San Diego received a $789,413 Project Grant award from the National Science Foundation Division of Chemistry on June 1, 2021 to fund research entitled "DISENTANGLING MANY-BODY EFFECTS AND COUPLING IN THE VIBRATIONAL SPECTRA OF AQUEOUS CLUSTERS." The award is part of the NSF's Mathematical and Physical Sciences program (CFDA 47.049) and will support research aimed at increasing understanding of major problems confronting the nation through advancing...
- The National Science Foundation Division of Chemistry awarded the University of Wisconsin-Madison $650,000 under the Mathematical and Physical Sciences program (CFDA 47.049) to develop methods for accurately and efficiently incorporating nuclear quantum effects into ab initio molecular dynamics simulations. Principal Investigator Dr. Yang Yang and his research group will continue developing Constrained Nuclear-Electronic Orbital Density Functional Theory and its integration with molecular...
- This $600,000 three-year Project Grant from the National Science Foundation's Division of Chemistry and Mathematical and Physical Sciences program will fund research into the diffusion of water confined in patterned hydrophilic-hydrophobic nanopores within metal-organic frameworks. Professors Laura Gagliardi of the University of Chicago and Omar Yaghi of the University of California, Berkeley will lead teams performing quantum mechanical calculations and nuclear magnetic resonance...
- The National Science Foundation (NSF) Division of Chemistry awarded a $334,000 Project Grant under the Mathematical and Physical Sciences program (CFDA 47.049) to the University of South Carolina (USC) to develop theoretical and computational methods incorporating quantum mechanics for studying the properties and behaviors of molecular systems and nanomaterials. The project, led by Professor Sophya Garashchuk, aims to gain a fundamental understanding of chemical reactivity, charge and energy...
- The National Science Foundation awarded a $465,003 project grant to the California Institute of Technology from June 2021 through May 2024 under the Mathematical and Physical Sciences program (CFDA 47.049). The grant funds the "Quantum Chemistry via General Tensor Networks" project, which aims to advance understanding of major problems in quantum chemistry through developing tensor network methods for simulating strongly correlated quantum systems. The funding supports Caltech's work...
- Federal Project Grant Award Summary The National Science Foundation's Division of Chemistry, under the Mathematical and Physical Sciences program (CFDA 47.049), awarded $600,000 to the University of California, Berkeley for a three-year research project (February 1, 2026 – January 31, 2029) directed by Professor Evan Williams. The award funds fundamental research investigating the chemistry and physics of charged droplets and ion hydration phenomena in mass spectrometry applications. Primary...
- Federal Project Grant Award Summary The National Science Foundation (NSF) Division of Chemistry awarded a $750,000 Project Grant to the University of California, Berkeley under the Mathematical and Physical Sciences program (CFDA 47.049) beginning March 15, 2026 and concluding February 28, 2029. Under the direction of Professor Stephen Leone, this research initiative establishes a comprehensive framework for characterizing and controlling quantum coherence and entanglement in atomic and...
- This $314,583 project grant awarded by the National Science Foundation's (NSF) Chemical Theory, Models and Computational Methods program within the Division of Chemistry supports the research of Professor Sharon Hammes-Schiffer at Yale University. The project aims to develop computational methods that accurately describe the coupling between electrons and protons in chemical processes relevant to biological systems and renewable energy applications. Key objectives include incorporating nuclear...
- 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...
The National Science Foundation's Division of Chemistry awarded a $514,668 Project Grant to the University of California, Merced to develop new theoretical methods for simulating quantum effects in protonated water clusters. The project, titled "State-Resolved Vibrational Spectra of Fluxional Protonated Water Clusters via Tensor Network States", aims to enable efficient and accurate simulation of these clusters, which are key to understanding the fundamental properties of water. The research is expected to lead to broadly applicable methods for simulating quantum systems in fields such as energy sciences, astro- and photochemistry. Dr. Henrik R. Larsson and his research group will develop these methods based on tensor network states and the density matrix renormalization group, and apply them to study the effects of finite temperature, isotope substitution, and microsolvation on the proton transfer motion and infrared spectrum of protonated water clusters. The project also includes plans for interdisciplinary workshops, summer school lectures, and engaging underrepresented students in research activities.
Mod # | Description | ReasonForModification | Federal Obligation | Date |
|---|---|---|---|---|
| Not listed | $302.3k | 8/8/23 | ||
| Not listed | $212.3k | 6/20/23 |