[QE-users] Tutorial on writing reproducible workflows for computational materials science using AiiDA

[Leopold Talirz]

Dear mailing list,

we'll be hosting a tutorial on writing reproducible workflows for
computational materials science  from May 21st, 2019 (9:00) until May 24th,
2019 (13:00) at EPFL, Lausanne, Switzerland.

This 3.5-day tutorial is designed to get Master students, PhD students and
Postdocs from the field of computational materials science started with
writing reproducible workflows. Participants will be introduced to the
state of the art in workflow management and high-throughput computations by
experts in the field, and gain in-depth hands-on experience using a tool
that they can directly apply to their own research.

Our tool of choice is the AiiDA framework (see aiida.net) for workflow
management and provenance tracking, which is backed by a significant
community of users and developers, and has interfaces to more than 20
materials science codes (see plugin registry), including 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.

For more information, please head over to the tutorial web site:
http://www.aiida.net/news/tutorial-writing-reproducible-workflows/

Looking forward to meeting you in Lausanne!
Leopold
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