Abstract
The code receives requests to perform chemistry calculations. The received request is then compared to a database of existing calculations. Any additional needed calculations are then sent off to an appropriate computer for calculation using NWChem. For example, the calculation can be done using PIC's Olympus computer. Knowledge of the different computers is built into the software. Once all the necessary computations are done the result is returned to the sender. Right now the code receives requests via email. Requests can be single energies or reactions. The code also can scan twitter feeds for requested reactions.
Exploratory License
Eligible for exploratory license
Market Sector
Chemistry and Catalysts