Introduction: The Chem Compute website allows students to easily access state of the art computational software for free. Our hope is that this will enable faculty to incorporate computational chemistry into their undergraduate teaching and research curriculum without the hassle of compiling, installing, and maintaining software and hardware.
Instructors: learn about using Chemcompute in your class
To Begin: Choose from two available packages below:
Calculations are run for free on these clusters:
- Jetstream: Available for use to guest users. A cloud cluster consisting of 1 node (24 cores). Great for small jobs because it has little overhead
- Comet: A cluster at the San Diego Supercomputing Center, with 1984 nodes (47,616 cores). Available for use to registered users and undergraduate classes. Best choice for large jobs
- Bridges: A cluster at the Pittsburg Supercomputing Center, with 752 nodes (21,056 cores). Available for use to registered users and undergraduate classes