Applying Computational Chemistry to the Undergraduate Classroom


We are collaborating with experimental groups at Pitt and many other institutions to solve problems in organic chemistry using computational methods and programs. Students in our group are actively involved in efficient communication and close collaboration with experimental groups in various areas of chemistry. Our goal is to establish the most effective strategy to use modern computational methods and hardware to help address the grand challenges in synthetic chemistry.


Publications


148. The 3Dmol.js Learning Environment: A Classroom Response System for 3D Chemical Structures


Keshavan Seshadri, Peng Liu, David Ryan Koes

Journal of Chemical Education, vol. 97, 2020, pp. 3872-3876


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