Student Author(s)

Nathan Vance

Faculty Mentor(s)

Dr. William Polik, Chemistry

Document Type


Event Date



The compute cloud (Infrastructure as a Service) abstracts computer hardware into virtual machines hosted by companies such as Google and Amazon. Advantages of using the compute cloud include flexible choice or computer architecture, no hardware maintenance, paying only for services used, and better reliability. Significant cost savings can be achieved in many circumstances. The project Server in the Cloud (SITC) was developed to adapt the compute cloud to computational chemistry. SITC is a set of scripts that installs a fully functional computational chemistry webserver to a cloud computer. The webserver is composed of Apache, WebMO, and some combination of computational chemistry engines. A single computational chemistry webserver, however, is not powerful enough to service a realistic number of users. To address this issue, the project Grid in the Cloud (GITC) was developed. GITC is a job scheduler that takes advantage of the cloud environment by spawning new cloud instances to complete jobs.


This research was supported by the Arnold and Mabel Beckman Foundation.