The goal of this 5 day-tutorial is to help students and researchers from the field of computational materials science get started with running and writing reproducible workflows. They will be introduced by experts in the field (including the developers of the code) to the use of AiiDA, a state-of-the-art framework for provenance tracking and workflow management designed to support high-throughput research.

AiiDA already has support for over 50 materials science codes, including established density-functional theory codes such as Quantum ESPRESSO, which will be used for this tutorial. Our INTERSECT IM2D integrates open-source materials modelling codes (Quantum ESPRESSO and SIESTA), with models and modelling software for emerging devices (Ginestra^TM)  via the SimPhony infrastructure for semantic interoperability and ontologies, powered by the AiiDA workflow engine, and its data-on-demand capabilities and apps interface

Target Audience of the AiiDA introductory tutorial includes computational scientists from both academia and industry, Experience with Python is required, but prior experience with AiiDA is not necessary.

Participation in the event is free of charge. The registration deadline is Thursday 10th of June at midnight CEST and the number of participants is limited to 120. For more information and a link to the registration form, please visit the official page of the event:

http://www.aiida.net/aiida-virtual-tutorial-july-2021/

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Update the registration deadline has been extended to June 17th!

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Update the AiiDA introductory tutorial video presentations to learn about AiiDA installation, provenance & workflows, Materials Cloud & plugin ecosystem & more, are now available! Watch the playlist at https://www.youtube.com/watch?v=Um6WUvmTByE&list=PLwM2jMcWDGDDtuGXbMWc7dai-mAQETcTB&index=1

The online 2020 AiiDA tutorial week, supported by the INTERSECT project, took place from the 07 to the 10 of July, aiming at helping students and researchers from the field of computational materials science to get started with writing reproducible workflows.

Basing on the just published event report, the organizers accepted 85 participants from 30 countries and 13 different time zones. All presentations by the AiiDA-core developers and contributed talks from the plugin developers are online available at AiiDA tutorials website.

Key details of the event

• When: From July 7th, 2020 to July 10th, 2020.
• Where: Virtual Zoom Meetings
• Registration: Fill this online form.
• Registration deadline: June 19th, 2020. After the deadline, we will select participants if there are more applications than the number of available spaces. Confirmation of acceptance will be sent to applicants at the latest on June 26th, 2020.

Participation to the event is free of charge. Up to 80 participants will be chosen (split into two time-zone groups), in order ensure the possibility for the AiiDA-core developers and tutors to provide direct feedback to all participants during the hands-on sessions.

Description of the event

The goal of this 4 day-tutorial is to help students and researchers from the field of computational materials science get started with writing reproducible workflows. They will be introduced by experts in the field (including the developers of the code) to the use of AiiDA, a state-of-the-art framework for provenance tracking and workflow management designed to support high-throughput research, and will gain in-depth hands-on experience using a tool that they can directly apply to their own research. Participation both from academia and from industry is encouraged.

The AiiDA framework is a tool for workflow management and provenance tracking, which is backed by a significant community of users and developers, and has interfaces to more than 30 materials science codes (see plugin registry), including (among others) to the ab initio codes Quantum ESPRESSO, VASP, cp2k, Castep, Siesta, Fleur, Crystal, NWChem, Wannier90, and Yambo. AiiDA’s permissive open source license (MIT) enables participants to use it both in academic and commercial settings. By virtue of its general design and flexible plugin system, AiiDA is easily extended to new codes and new use cases.

Talks will be pre-recorded and made available to participants before the event, and hands-on tutorials will be held via Zoom. In order to avoid losing time on installation issues, participants will have the option to connect to virtual machines preconfigured with AiiDA (or to come with AiiDA already installed on their laptop via the Quantum Mobile virtual machine).

The event will mostly focus on in-depth tutorials on using AiiDA and on writing workflows. It will also include some talks on how AiiDA has been already used in production, given by the organisers and the core developers of AiiDA; on advanced aspects of workflow management; on designing and writing new AiiDA plugins; and on research data management (RDM) and how to write data management plans (DMPs), especially when using AiiDA and the Materials Cloud.

Speakers & organisers

The tutorial is organised by Chris Sewell (EPFL, CH), Marnik Bercx (EPFL, CH) and Giovanni Pizzi (EPFL, CH).

Tutorial lectures and assistance during hands-on session will be provided by the organisers and a team of core AiiDA developers: Sebastiaan Huber, Leopold Talirz, Yakutovich Aliaksandr, Casper Andersen and Francisco Ramirez.

For general information concerning the tutorial you can contact Chris (christopher.sewell@epfl.ch) or Marnik (marnik.bercx@epfl.ch).

More info here