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Students earn grants in Computational Chemistry

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​O. Shaw and T. Nesterova XSEDE EMPOWER Grant Recipients

Two undergraduate students in the Department of Chemistry and Biochemistry have been selected to receive support for research projects this summer from Shodor, a nonprofit organization that provides materials and instruction in computational science.

Tanya Nesterova and Olivia Shaw were awarded grants as apprentices in Shodor’s XSEDE (Extreme Science and Engineering Discovery Environment) EMPOWER (Expert Mentoring Producing Opportunities for Work, Education and Research) program. The program matches students with mentors who are working on projects related to the work of XSEDE.

Nesterova works with Assistant Prof. Juan Perilla on research into the molecular mechanisms of HIV infection. Her project involves developing large-scale analysis tools for molecular dynamics simulations, performing molecular dynamics simulations of HIV-1 relevant systems and collaborating with biophysical scientists in the design of experiments for the validation of the project discoveries.

Shaw works with Assistant Prof. Jodi Hadden-Perilla on ways to make the computational microscope accessible to blind researchers. Her project will involve developing the computational tools necessary to enable a blind researcher to setup, run, and analyze molecular dynamics simulations of proteins, as well as developing strategies for visualization and conceptualization of protein structure and dynamics through data analysis and presentation techniques that do not depend on the sense of sight.

Shodor works to improve math and science education through the use of modeling and simulation technologies. It offers online educational tools, workshops for students and teachers and hands-on activities in computational science.

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Students earn grants in Computational Chemistry