Welcome to Chemistream’s documentation!

When Chemistream starts, a tab in your browser will open and look something like this…

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Overview

Computation plays an important role in materials science, engineering, nanotechnology, pharmaceutical research and many other research fields. Faster time to market, increased return on investment, and enabling new products are common reasons computation is used in product development. However, surveys have shown that moderate sized companies are only slowly adopting materials simulations and taking advantage of the potential increases in innovation and productivity.

Improving the adoption of computational chemistry software is addressed by developing a framework to help streamline complex simulation workflows involving one or more of the following: molecular dynamics, quantum chemistry simulations, molecular docking, kinetic monte-carlo and others. This framework Chemistream, is user-friendly application capable of taking advantage of cloud computing resources, using the sub-package Makalii and combining HPC simulations into industry workflows using the STREAMM package developed at NREL.

Indices and tables