ABSTRACT

For twenty five years and counting, WebMO has been reducing barriers to computational chemistry for students and non-specialist alike while retaining flexibility that experts need. This combination facilitates easy adoption throughout the entire chemistry curriculum and research enterprise. Both learners and researchers benefit from a common interface with smart defaults for multiple computational chemistry programs. Such a flexible computing environment is not only good for electronic structure calculations but for chemistry computations in general. Following the WebMO model, Wolfram has been working to reduce barriers for all forms of chemical computing in a digital notebook environment. Recent developments bring electronic structure calculations to a user base historically populated by mathematicians and physicists. The resulting high-level programming language provides a rich environment for chemical coding and data-driven learning and research.

SESSION

WebMO: The First 25 Years

Division of Computers in Chemistry (COMP)

AUTHORS

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