Computational Chemistry: From the Phone to the Cloud
Dr. William F. Polik
Over the last half century, the cost of computing power has dropped by about 10 orders of magnitude. As a result, computational modeling has become a practical tool for chemists to calculate molecular structures, properties, spectra, and reactivity. The Polik group previously developed WebMO, which installs on a linux computer and allows students and researchers to perform state-of-the-art computational chemistry calculations from their web browsers. This past year, we have extended the WebMO project to two additional computing platforms: smartphones and cloud computing. Smartphones, with their touchscreens and high portability, are convenient for building molecules and viewing computed results. Cloud computing promises a low cost server alternative for those who plan to compute intermittently, do not have access to a conventional cluster, or lack technical expertise to maintain a server.
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