The goal of our project was to determine whether a virtual platform (Paperspace) would be appropriate for conducting quantum chemistry calculations in the classroom and research lab. Quantum chemistry calculations allow us to model properties of molecules, which can reinforce concepts in General Chemistry (CHEM 105/107) and Physical Chemistry (CHEM 330/332). Here, we test the program Gaussian 16 on the virtual platform Paperspace.
Our conclusions are that Paperspace is easy to use, accessible for students, and provides enough computational power for use in the classroom. Additionally, low and mid-level research calculations can be performed on Paperspace, perhaps freeing up use of high-performance lab computers for higher-level calculations. Ease of use and accessibility may allow us to more easily expand quantum chemistry calculations to other courses in the chemistry curriculum.
Below is a video showing a demo of Paperspace and Gaussian, and providing more detailed thoughts on using the technology at SNC.
I thank ITS for providing funding for this work in the form of an ITS Instructional Technology Mini Grant. Further thanks to Nick Plank and Krissy Lukens for introducing me to Paperspace, helping me with the funding application, and helping set up the virtual machines that I tested.
