Pinned Repositories
aiida-defects
A plugin for the AiiDA platform providing workflows for calculations with defects
aiida-finales
AiiDA client for the Finale server
aiida-flipper
The AiiDA plugin for Quantum ESPRESSO Pinball.
koopmans
Implementation of Koopmans-compliant functionals in Quantum ESPRESSO
koopmans-kcp
Implementation of Koopmans functionals with full orbital optimization in Quantum ESPRESSO v4.1
koopmans-qe-utils
Utilities related to running Koopmans-compliant functionals with Quantum ESPRESSO
pinball
qm-utm
UTM virtual box build recipe for Quantum Mobile
tool-layer-raman-ir
A tool to compute and visualize Raman-active and Infrared-active modes in layered materials
tool-ml-layer-finder
Tool to find layers (and low-dimensional structures) within a bulk 3D structure, combined with machine learning to predict if the layer has a low binding energy
THEOS, EPFL's Repositories
epfl-theos/koopmans
Implementation of Koopmans-compliant functionals in Quantum ESPRESSO
epfl-theos/aiida-defects
A plugin for the AiiDA platform providing workflows for calculations with defects
epfl-theos/tool-layer-raman-ir
A tool to compute and visualize Raman-active and Infrared-active modes in layered materials
epfl-theos/koopmans-qe-utils
Utilities related to running Koopmans-compliant functionals with Quantum ESPRESSO
epfl-theos/aiida-flipper
The AiiDA plugin for Quantum ESPRESSO Pinball.
epfl-theos/tool-ml-layer-finder
Tool to find layers (and low-dimensional structures) within a bulk 3D structure, combined with machine learning to predict if the layer has a low binding energy
epfl-theos/aiida-finales
AiiDA client for the Finale server
epfl-theos/koopmans-kcp
Implementation of Koopmans functionals with full orbital optimization in Quantum ESPRESSO v4.1
epfl-theos/pinball
epfl-theos/qm-utm
UTM virtual box build recipe for Quantum Mobile
epfl-theos/r4-project
Code relating to the scientific "Rule of 4" project. Project led by Elena Gazzarrini and managed by Simon Adorf.