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Incorporation of computational chemistry research in Physical Chemistry class project leads to peer-reviewed publication

| Sudeep Bhattacharyay

The Blugold Supercomputing Cluster has recently been used to integrate research in the classroom resulting publications by 17 undergraduate authors of Physical Chemistry (CHEM. 433) course. The objective of CHEM. 433 course is primarily to teach principles of chemical thermodynamics and kinetics. This was done in 3 phases. In the first phase, students participated in hypothesis-driven cutting-edge computational quantum chemistry projects using the in-house Blugold Supercomputing Cluster nodes. In particular, students performed Unix-based computations to study structure and energetics of molecules. As a part of their assigned project, they collected and analyzed the computational data, prepared weekly progress reports, and finally compiled their results and submitted their end-of-semester term paper. In the second phase, three of those students (Mr. Tanner Jaglinski, Ms. Ashley Kastenschmidt, and Ms. Eun-Hye Song), who were successful and engaged in this assigned project, compiled their results in the following semester as an Independent Study course. Subsequently, these students in addition to Mr. Adam Gross also presented their work as poster presentation at the 2015 National Council of Undergraduate Research (NCUR) meeting in Eastern Washington University. In the third and final phase, one student (Ms. Clorice Reinhardt) from our core research group, who has been working on a closely related project disseminated the results in the broader context of the chemistry and completed the writing up of the manuscript. This was sent for a peer-reviewed journal and was published in August 2016.

This work contains results from a Physical Chemistry-I class project assigned to undergraduate students. Clorice R. Reinhardt is the main contributory undergraduate author. Tanner C. Jaglinski, Ashly M. Kastenschmidt, Eun H. Song, Adam K. Gross, Alyssa J. Krause, Jonathan M. Gollmar, Kristin J. Meise, Zachary S. Stenerson, Tyler J. Weibel, Andrew Dison, Mackenzie R. Finnegan, Daniel S. Griesi, Michael D. Heltne, Tom G. Hughes, Connor D. Hunt, Kayla A. Jansen, Adam H. Xiong are students of 2014 Fall Physical Chemistry-1.


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