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Tuesday, August 5 • 2:00pm - 5:00pm
W69: PSI4 Education: Open Source Computational Chemistry (offered twice)

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PSI4 is an open-source suite of ab initio quantum chemistry programs ideal for both research and education. Pairing PSI4 with the WebMO graphical user interface, students can easily build molecules and set up computations to explore various chemical concepts such as polarity, molecular orbitals, and spectroscopy. In this workshop, we will present a variety of lab activities for beginner, intermediate, and advanced chemistry students using the PSI4/WebMO interface. Participants will not only receive hands-on experience using PSI4 and WebMO, but will also have time to develop their own lab activity in the presence of expert PSI4 software developers available for consultation. Each participant will receive a flash drive containing a lab manual with all activities presented at the workshop, the PSI4 software, and detailed information for setting up and using PSI4 and WebMO in a context similar to their home institution.

Tuesday August 5, 2014 2:00pm - 5:00pm EDT
HRY 116
  Laboratory  Technology