Webinar: Running Your Gaussian Quantum Calculations on the Cloud

Posted by OpenEye Scientific on May 9, 2022 6:55:01 PM

The on-demand miniWebinar "Running Your Gaussian Quantum Calculations on the Cloud" is presented by Varsha Jain, PhD, Application Scientist II, at OpenEye. This presentation was originally given on Thursday, May 12, 2022. 

On-Demand Webinar Summary

This on-demand miniWebinar explores Gaussian, a globally used electronic structure program that predicts the energies, molecular structures, and vibrational frequencies of molecular systems, along with numerous physical properties derived from these computations.

With the help of OpenEye's Orion® molecular design platform these quantum chemistry calculations can be facilitated at a large scale while taking advantage of the computational resources in the cloud with Amazon Web Service (AWS). Additionally, Orion’s proprietary scheduler will find the instances with the lowest compute cost on AWS for your scientific computing needs. 

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On-Demand Webinar Agenda

In this on-demand miniWebinar, Dr. Jain highlights the following features in the Orion platform:

  • Flexibility of running Gaussian calculations using your own Gaussian input files in Orion
  • The integration of Gaussian calculations in Orion making it easy for non-experts to use these tools
  • Parallelization and scalability of multiple Gaussian jobs
  • The integration of Gaussian failure messages
  • Availability of various methods and basis sets
  • Future development plans
A recorded version of this webinar, along with the presentation PDF, is now available.

Please fill out the form below to view the webinar and/or download the presentation PDF