Issue No.06 - November/December (2000 vol.2)
DOI Bookmark: http://doi.ieeecomputersociety.org/10.1109/5992.881705
Developing new forms of plastic and improving the efficiency of the catalysts that produce them requires detailed insight into the reaction steps in the polymerization process. This calls for thorough analysis and hefty computational resources. The authors discuss their strategies for accurate modeling and Cobalt--a Beowulf supercomputer they built and optimized for quantum chemistry applications.
Tom K. Woo, Serguei Patchkovskii, Tom Ziegler, "Atomic Scale Modeling of Polymerization Catalysts", Computing in Science & Engineering, vol.2, no. 6, pp. 28-37, November/December 2000, doi:10.1109/5992.881705