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Quantum ESPRESSO AiiDAlab app
AiiDA AiiDAlab Quantum
General information
App homepage: Go to app homepage
Documentation: Go to app documentation
Detailed information
Author(s): X. Wang, J. Yu, A. V. Yakutovich, M. Bercx, D. Du, D. Hollas, A. Ortega-Guerrero , M. Bonacci, E. Bainglass, N. Marzari, C. A. Pignedoli, G. Pizzi
Affiliation(s): Paul Scherrer Institute, Ecole Polytechnique Fédérale de Lausanne, Swiss Federal Laboratories for Materials Science and Technology
Current state: stable (version 24.04.0)
Source code: github.com
Short description: The Quantum ESPRESSO (QE) app is a user-friendly, web-based interface within AiiDAlab. It empowers users to conduct and streamline first-principles calculations by leveraging AiiDA’s powerful workflows implemented in the AiiDA Quantum ESPRESSO plugins. With this app researchers can calculate material properties (e.g., bands structure) on the web browser directly without writing any code.
Most recent version: 24.04.0