Computational Chemistry Infrastructure, Interfaces, and Resources
Dr. William Polik
Computational chemistry is a fast-growing sub-discipline of chemistry with broad applications. Students and researchers can perform calculations using WebMO, a web-based interface to state-of-the-art computational chemistry programs. High-performance computer clusters are used for computationally intensive jobs. Less demanding calculations may be run with lower cost infrastructure, such as a server on a USB stick or the free WebMO iOS app. In addition, instructional resources are distributed with WebMO that fully describe its usage, including advanced and lesser-known features.
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