Welcome to SimStack’s documentation!
Understanding the nature of the materials from a computation simulation perspective evolves fields that bring together knowledge from physics, materials science, chemistry, mechanical engineering, mathematics, and computer science. While new simulation methods are time-consuming and require in-depth knowledge about the physical/chemical ideas, a few key parameters typically suffice to transfer an established protocol from pre-existing code with a given method to a slightly different problem. However, this transfer is often not accounted for during the development phase. The SimStack workflow framework handles this drawback by enhancing the reusability, reproducibility, flexibility, and transferability of simulation protocols. Those advantages reduce the time-consuming to setup an old or new workflow hiding the complexity of high-performance computing (HPC) resources, enabling users to perform rapid prototyping complex multiscale workflows for materials design into their scientific simulation solutions.
This documentation will demonstrate how to apply the SimStack features in a predefined set of WaNos to construct simple workflows to illustrate the reusability, reproducibility, transferability, and flexibility concepts within the workflow philosophy.
This document was generated May 11, 2022.