Dave Toth, assistant professor of computer science, and his collaborators published two papers in the Journal of Computational Science Education (http://www.jocse.org/). The new issue was released December 1. “Using Supercomputing to Conduct Virtual Screen as Part of the Drug Discovery Process in a Medicinal Chemistry Course” describes how Toth and his collaborator, Dr. Jimmy Franco of the Merrimack College Chemistry Department, taught students in Dr. Franco’s Medicinal Chemistry course how to perform virtual screening with a supercomputer to identify potential drugs. Toth and Franco are finalists for the 2012 Undergraduate Computational Engineering and Sciences (UCES) Award for on this work. The winners of the award will be announced in February 2013 at the SIAM Conference on Computational Science and Engineering. “A Performance Comparison of a Naive Algorithm to Solve the Party Problem using GPUs” describes research Toth and his former student at Merrimack College, Michael Bryant, did with GPUs.
