Portals and services

• AiiDA
  AiiDA is an open-source Python infrastructure to help researchers with automating, managing, persisting, sharing and reproducing the complex workflows associated with modern computational science and all associated data.
  Groups: Marzari, Pizzi / Projects: Pillar 3, Pillar 4, OSP

• AiiDAlab
  AiiDAlab is a web platform to run complex and robust AiiDA workflows via tailored lightweight web applications, directly in the browser. It makes advanced simulations accessible also to non-experts of simulations. Computational workflows, bundled together with user-friendly graphical interfaces, are made available through the AiiDAlab app store. Being fully compatible with open-science principles, AiiDAlab provides a complete infrastructure for automated workflows and provenance tracking.
  Groups: Marzari, Pignedoli, Pizzi / Projects: Pillar 3, Pillar 4, OSP

• AiiDAlab demo server
  The AiiDAlab demo server is a publicly accessible AiiDAlab server intended as a quick demonstration of AiiDAlab capabilities. The server is pre-configured with the AiiDAlab QE app and provides sufficient resources to execute basic materials simulations.
  Groups: Marzari, Pignedoli, Pizzi / Projects: Pillar 3, Pillar 4
  

• The Atomistic Cookbook
  The Atomistic Cookbook is a collection of computational recipes to perform different types of advanced materials simulations, combining state-of-the-art modeling software and a pedagogic explanation of the simulation techniques. 
  Group: Ceriotti / Project: Pillar 2
  

• Materials Cloud
  Materials Cloud is built to enable the seamless sharing and dissemination of resources in computational materials science, offering educational, research, and archiving tools; simulation software and services; and curated and raw data. These underpin published results and empower data-based discovery, compliant with data management plans and the FAIR principles. Materials Cloud is powered by AiiDA, an open-source python infrastructure to manage and persist the ever-growing amount and complexity of workflows and data in computational science.
  Groups: Marzari, Pignedoli, Pizzi / Projects: Pillar 3, Pillar 4, OSP

• Quantum Mobile
  Quantum Mobile is a virtual machine based on Ubuntu Linux that comes with a collection of quantum simulation codes (Quantum ESPRESSO, Yambo, Fleur, Siesta, cp2k). All codes are set up and ready to be used through the AiiDA python framework for automated workflows and provenance tracking.Quantum Mobile may be useful for exercises in physics, chemistry and materials science courses, for running quantum simulations without any setup, for experimenting with new codes, but also for managing production simulations on external supercomputers through AiiDA.
  Group: Marzari / Project: PP6