Open-Science Platform for Computational Materials Science: AiiDA and the Materials Cloud

  title={Open-Science Platform for Computational Materials Science: AiiDA and the Materials Cloud},
  author={Giovanni Pizzi},
  • G. Pizzi
  • Published 2018
  • Physics, Engineering
We discuss here our vision for an Open-Science platform for computational Materials Science. Such a platform needs to rely on three pillars, consisting of 1) open data generation tools (including the simulation codes, the scientific workflows and the infrastructure for automation and provenance-tracking); 2) an open integration platform where these tools interact in an easily accessible way and computations are coordinated by automated workflows; and 3) support for seamless code and data… Expand
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