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AiiDAlab Quantum ESPRESSO app

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AiiDAlab, a Jupyter-based web platform powered by the AiiDA workflow management system, offers lightweight web apps for running complex and robust automated workflows on remote machines. The AiiDAlab Quantum ESPRESSO (QE) app streamlines access to a host of materials properties, including electronic structure, X-ray and muon spectroscopies, vibrational and Bader analyses, neutron scattering, and more. The AiiDAlab demo server, pre-configured with the QE app, allows users to quickly test out the features of AiiDAlab, guided by dedicated examples and built-in tutorials.

Licence: MIT License

Contact: Dr. Giovanni Pizzi giovanni.pizzi@psi.ch Group leader MSD, PSI (https://www.psi.ch) Dr. Carlo A. Pignedoli carlo.pignedoli@empa.ch Deputy group leader Atomistic Simulations, Empa (https://www.empa.ch) Prof. Nicola Marzari nicola.marzari@epfl.ch Lab Head THEOS, EPFL (https://www.epfl.ch), Lab Head LMS, PSI (https://www.psi.ch)

Keywords: Materials Science, Computing, Simulations, Workflows, login required

Target audience: Physicists, Chemists, Materials scientists

Resource type: service

Status: Active

Authors: Xing Wang, Edan Bainglass, Miki Bonacci, Andres Ortega-Guerrero, Lorenzo Bastonero, Marnik Bercx, Pietro Bonfà, Roberto De Renzi, Dou Du, Peter N. O. Gillespie, Michael A. Hernández-Bertrán, Daniel Hollas, Sebastiaan P. Huber, Elisa Molinari, Ifeanyi J. Onuorah, Nataliya Paulish, Deborah Prezzi, Junfeng Qiao, Timo Reents, Christopher J. Sewell, Iurii Timrov, Aliaksandr V. Yakutovich, Jusong Yu, Nicola Marzari, Carlo A. Pignedoli, Giovanni Pizzi

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