Frequently Asked Questions For Everybody
- What is computational chemistry?
- Computational chemistry, e.g. molecular modeling, is the use of high performance computing power in order to accurately model molecule structure, properties, and activity.
- If you are planning to have a large group run jobs on the server please let Bob Gotwals know so that scheduling conflicts can be resolved and the server does not get slowed down.
- Please contact Bob Gotwals with an explanation of what the problem is.
Learning About Computational Chemistry
- For Teacher Accounts: There are no restrictions for individual jobs or for total run time.
- For Student Accounts: These accounts are provided over a limited timeframe, and job limits are set at four (4) minutes for a single run, with 20 minutes of total CPU time per student.
- For Research Accounts: Job limits are set following discussion with the NCHSCCS project managers.
- There are three 30 minute postcasts abvailable here that explain how to use the server.
- The text book A Chemistry Educator's Guide to Molecular Modeling is available online.
- There is also a distance learning class through The North Carolina School of Science and Mathematics. For more information please contact Bob Gotwals. You can access the achived videos of past sessions here.