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Monday, August 4 • 9:30am - 12:30pm
W54: WebMO Hands-On Workshop

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WebMO is a web-based interface to modern computational chemistry programs (Gamess, Gaussian, Molpro, Mopac, NWChem, PQS, PSI, Quantum Espresso, VASP, Q-Chem, Tinker). Using just a web-browser, users can draw 3-D structures, run calculations, and view results. WebMO is simple enough for novice users (reasonable defaults are provided, and result are presented graphically) but flexible enough for experts (full access to input and output files is provided, and job types can be customized).

Workshop topics will include:

Overview of WebMO features and capabilities
Drawing molecules using the WebMO Editor
Running various job types
Visualization of results using the WebMO Viewer
Importing and exporting structures and jobs
Customization WebMO job types
Installation and administration of WebMO

This is a hands-on workshop, so participants are encouraged to bring their own Windows, Mac, or Linux laptop or Apple iPad. In addition to workshop activities, the WebMO developers will be available for questions and individual consultation.

Moderators
WP

William Polik

Hope College

Monday August 4, 2014 9:30am - 12:30pm
HRY 114