Project Grant 2408934
- 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...
- The National Science Foundation's Division of Chemistry has awarded a $696,868 Project Grant to Princeton University's Professor Joseph Subotnik to develop new computational methods for modeling the flow of energy between electrons, nuclei, and spin in molecular and material systems. This research under the Mathematical and Physical Sciences program (CFDA 47.049) aims to improve understanding of efficient energy conversion processes in nature, such as photosynthesis, by accounting for spin...
- This three-year $484,620 Project Grant from the National Science Foundation's Division of Chemistry, under the Mathematical and Physical Sciences program (CFDA 47.049), supports the development of quantum chemical methods to study photon and electron driven processes at Temple University. Professor Spiridoula Matsika and her research group will develop efficient and accurate computational tools to describe chemical reactions and phenomena initiated by light or electrons, with a focus on...
- This Project Grant award of $555,000 from the National Science Foundation's (NSF) Division of Chemistry, under the Mathematical and Physical Sciences program (CFDA 47.049), supports research by Professor James Allen and Dr. Joann Williams of Arizona State University to study how proteins control proton-coupled electron transfer reactions. The researchers aim to create reversible, long-lived electron and proton transfer processes that mimic biological systems. By manipulating bacterial reaction...
- This $300,000 EAGER award from the National Science Foundation's (NSF) Division of Chemistry, under the Mathematical and Physical Sciences (CFDA 47.049) program, supports the development of quantum-inspired electronic structure theory methods by Virginia Polytechnic Institute & State University (Virginia Tech). The project aims to leverage ideas from quantum algorithms to create novel classical algorithms for accelerating chemistry simulations on current classical computers. The key...
- This $650,000 federal Project Grant awarded by the National Science Foundation (NSF) Division of Chemistry supports the research of Dr. Raphael Florentino Ribeiro of Emory University. The award, effective December 1, 2023 through November 30, 2028, aims to develop new theoretical approaches and computational methods for investigating chemical phenomena in microenvironments that confine light and interact strongly with matter. The research will computationally explore strategies to achieve...
- The National Science Foundation's (NSF) Chemical Theory, Models and Computational Methods Program awarded a CAREER grant totaling $670,828 to Tim J. Zuehlsdorff of Oregon State University. The grant, which runs from January 1, 2025 to December 31, 2029, will support the development of new computational methods capable of simulating how molecules embedded in complex environments like solvents and proteins interact with light. This research has applications ranging from understanding biological...
- The National Science Foundation (NSF) awarded a $249,950 Project Grant under the Mathematical and Physical Sciences (CFDA 47.049) program to Professor William C. Pfalzgraff and Chatham University. The funding supports the development of computational methods to accelerate the calculation of molecular properties from computer simulations, which are essential tools in modern chemistry. The project aims to create formally exact generalized master equation (GME) approaches that can efficiently...
- This Project Grant award from the National Science Foundation's Mathematical and Physical Sciences program (CFDA 47.049) provides $800,000 to researchers Laura Gagliardi of the University of Chicago and Donald G. Truhlar of the University of Minnesota to develop advanced electronic structure theories for studying strongly correlated systems relevant to energy generation and sustainability. The primary objective is to enhance the understanding of catalysis, photochemistry, spectroscopy, materials...
- 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 $570,000 award from the National Science Foundation (NSF) Division of Chemistry's Chemical Theory, Models and Computational Methods program supports the development of theories and computational methods for describing the transfer of energy and charge in chemical processes. The principal investigator, Sharon Hammes-Schiffer of Princeton University, will focus on advancing the understanding of photoinduced proton-coupled electron transfer (PCET) and proton-coupled energy transfer (PCENT) mechanisms. Specifically, Hammes-Schiffer will derive PCENT rate constant expressions, develop nuclear-electronic orbital (NEO) methods for computing vibronic states and couplings, and integrate these NEO approaches into quantum chemistry software. The project aims to provide insights into the fundamental principles underlying these critical energy and charge transfer processes in chemical and biological systems. The research will also incorporate tutorials and educational tools to enable wider use of the newly developed computational methods.
Mod # | Description | ReasonForModification | Federal Obligation | Date |
|---|---|---|---|---|
| Not listed | $570.0k | 7/9/24 |