The National Science Foundation (NSF) awarded a $684,062 Project Grant to the University of Memphis Chemistry Department under the Mathematical and Physical Sciences program (CFDA 47.049) to support the synthesis and study of bimetallic and multi-metallic complexes bridged by redox-active, exocyclic imine ligands. The project aims to develop new electronic materials by exploiting the electronic properties of these conjugated bridging ligands, with the goal of constructing molecular wires and...
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 under the Division of Chemistry awarded a $653,043 CAREER grant to Professor Ka Un Lao of Virginia Commonwealth University. The grant will support the development of a next-generation theoretical framework that integrates advanced quantum chemistry techniques with mathematical tools from differential geometry. This framework aims to enable stable and accurate long-term simulations of complex...
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 (CFDA 47.070 - Computer and Information Science and Engineering) will provide $208,751 to the University of Memphis to develop a software framework that makes it easier to implement advanced quantum chemistry methods on emerging hardware. The project involves a collaborative team of experts in quantum chemistry and computer science from Georgia Tech, the University of Georgia, Virginia Tech, and the University of Memphis. The key...
The National Science Foundation (NSF) awarded a $629,867 Project Grant under the Mathematical and Physical Sciences (CFDA 47.049) program to the University of Texas at Austin. The funding supports research by Dr. Doran Bennett to develop new computational methods for simulating excited-state dynamics and nonlinear spectroscopy of molecular materials at the mesoscale (10nm - 1μm). The project aims to establish how specific materials absorb and deploy energy from light, providing essential...
The National Science Foundation (NSF) Division of Chemistry awarded a $510,000 Project Grant under the Mathematical and Physical Sciences (CFDA 47.049) program to the University of Missouri System, doing business as Curators of the University of Missouri, to develop techniques for computing molecular properties using multicomponent methods that incorporate nuclear quantum effects. The award will enable the research team, led by Dr. Kurt Brorsen, to extend the applicability of multicomponent...
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...
The National Science Foundation (NSF), through its Mathematical and Physical Sciences (CFDA 47.049) program, awarded a $301,463 project grant to the University of Missouri System's Missouri University of Science & Technology. The grant supports computational chemistry research conducted by Professor Greg Tschumper's group to study non-covalent molecular interactions and their applications for organic semiconductor devices. The project will employ high-accuracy quantum mechanics-based methods...
The National Science Foundation awarded a $501,728 project grant under the Mathematical and Physical Sciences program (CFDA 47.049) to Emory University for the period of June 1, 2023 through May 31, 2026. Under this award, Francesco Evangelista of Emory University and his research team will develop computational methods and open-source computer codes to model core-excited states of molecules experiencing significant electron correlation effects. This will allow them to simulate...