Professor awarded NSF Grant for computational chemistry research

Professor awarded NSF Grant for computational chemistry research

The National Science Foundation awarded Kennesaw State Associate Professor of chemistry Dr. Martina Kaledin a grant to further her research regarding the computational modeling of hydrogen-bonded systems.

“[My] mission as a college professor is not only to advance new knowledge but to also train the next generation,” Kaledin said.

Kaledin’s work involves the development of molecular dynamics computer simulation models, which will allow for a better understanding of chemical systems and complex biological systems, according to the Marietta Daily Journal.

Kaledin said that her primary focus is to calculate vibrational spectra and to obtain a more in-depth knowledge of proton transfers.

To achieve her goal, Kaledin and her team will use KSU’s High-Performance Computing cluster supercomputer in order to replicate the interaction of various molecules which, if performed in reality, could take a long period of time for any reaction.

In using KSU’s HPC supercomputer, Kaledin aims to lead a safer and more fiscally stable project than what would typically be available.

Regarding opportunities for student involvement, Kaledin said that both graduate and undergraduate students will be able to work within her research. During this project, her students will have stipends to learn how to use molecular dynamics simulations, analyze data in practical application and produce published research pieces.

For students enrolled in any of Kaledin’s undergraduate or graduate-level courses, Kaledin plans on integrating aspects of her research project into course materials, according to the MDJ.

Kaledin said that the NSF grant will be distributed over a three-year period. With this funding, she will be setting up stipends for students aids as well as allocating funds for travel expenditure, publication needs and indirect research costs.

“Computational chemistry is an integral part of theoretical physical chemistry,” Kaledin said to KSU News. “Our students will receive training in computational chemistry methods through the NSF project. This is an exciting advancement for Kennesaw State.”

Funding for the $232,892 NSF grant began Sept. 1 and runs through Aug. 31, 2022, according to KSU News.

Students showing any interest or seeking more information are advised to contact Kaledin directly via email.

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