Crystal Structure Predictions using Crystal Math Floes

These tutorials use benzoic acid as an example molecule. Running a full crystal structure prediction (CSP), as described in the main tutorial will cost about $1,150 (varying with current AWS pricing). The contribution to this cost is primarily due to Quantum crystal optimizations which are computationally expensive. Cutting down the number of optimizations performed can reduce the cost to less than $20, keep an eye out for the Cost Saving Options during each step of the tutorial.

The output from each step is available in “Organization Data” on Orion (see Tutorial Data on Orion). These results can be used to follow the analyze results sections of the tutorial without running a Floe.