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Date: Monday October 9, 2023
Time: 5:30pm MDT
Room: Zoom uidaho.zoom.us, Meeting ID 881 0237 3671, passcode UICS501
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Abstract: In the evolving field of applied computational chemistry, integrating computational methodologies with chemical processes can lead to transformative results with societal and environmental impacts. This talk will provide an overview of various studies undertaken in my group, ranging from the optimization of nanocomposite photocatalysts for plastic waste degradation, resulting in sustainable hydrogen production, to the intricate mechanistic exploration of metal-catalyzed reactions and molecular interactions. The objective is to foster a deeper understanding of the underlying principles that govern chemical reactions and processes, and to emphasize the importance of computational tools in predicting, understanding, and optimizing these processes. Special attention will be given to the computational methods employed and the potential for collaboration between computational chemists and computer scientists. Bridging the knowledge between the two disciplines can lead to novel algorithms, enhanced simulation techniques, and broader applications.
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Marat R. Talipov is an Associate Professor in the Department of Chemistry and Biochemistry at New Mexico State University, Las Cruces. He obtained his Ph.D. in Chemistry, specializing in Mathematical and Quantum Chemistry, from Bashkir State University, where he focused on the theoretical investigation of short-living molecules, nitroso oxides. Marat's research interests include multi-scale simulations, the chemistry and biochemistry of reactive oxygen and nitrogen species, the design of π-conjugated molecules for molecular electronics and photovoltaics, and the guided design of enzyme inhibitors. Throughout his academic journey, Dr. Talipov has been recognized with several funding awards, reflecting his contributions to the field. His publications reveal a deep interest in computational chemistry, with works ranging from quantum-chemical modeling of electronic structure to the design of next-generation materials for single-molecule electronics. Prior to joining New Mexico State University, Marat held postdoctoral position at Marquette University and the researcher position at the Institute of Organic Chemistry in Ufa, Russia.