NWChem scaling study at AWS (5:04)

This interactive example DFT Molecular Orbitals Calculation displays the output from a JupyterLab notebook workflow similar to one shown in the demo below. This workflow performs a quantum DFT calculation of two molecules specified with SMILES strings. While these examples are not currently connected to cloud resources, it indicates the kind of capability available through Chemistream for some specific HPC workflows. These examples are dumped directly from JupyterLab notebooks running at AWS for workflows currently available in Chemistream.* NOTE: for any interactive images, try dragging the small gray triangle in the lower right of the image to resize. Drag the images to rotate and scroll mouse wheel to zoom.*

Full 1080p HD resolution and full-screen available through menu on the bottom right of the video