Pinned Repositories
aiida-ase
AiiDA plugin for ASE
aiida-atomistic
AiiDA plugin which contains data and methods for atomistic simulations.
aiida-code-registry
Registry of simulation codes and computers for easy setup in AiiDA.
aiida-core
The official repository for the AiiDA code
aiida-firecrest
AiiDA Transport/Scheduler plugins for interfacing with FirecREST (https://products.cscs.ch/firecrest/)
aiida-koopmans
aiida-muon
aiida workchain for finding candidate implantation site(s) for the muon and contact hyperfine contribution to the local field.
aiidalab-qe-vibroscopy
compile_yambo
Collection of configuration scripts, tricks and other stuff on how to compile and set up a running yambo on different machines.
tutorials-aiida-yambo
Jupyter notebooks examples for aiida-yambo plugin
mikibonacci's Repositories
mikibonacci/aiida-koopmans
mikibonacci/aiidalab-qe-vibroscopy
mikibonacci/compile_yambo
Collection of configuration scripts, tricks and other stuff on how to compile and set up a running yambo on different machines.
mikibonacci/tutorials-aiida-yambo
Jupyter notebooks examples for aiida-yambo plugin
mikibonacci/aiida-atomistic
AiiDA plugin which contains data and methods for atomistic simulations.
mikibonacci/aiida-code-registry
Registry of simulation codes and computers for easy setup in AiiDA.
mikibonacci/aiida-core
The official repository for the AiiDA code
mikibonacci/aiida-firecrest
AiiDA Transport/Scheduler plugins for interfacing with FirecREST (https://products.cscs.ch/firecrest/)
mikibonacci/aiida-project
AiiDA project manager
mikibonacci/aiida-pseudo
mikibonacci/aiida-quantumespresso
The official AiiDA plugin for Quantum ESPRESSO
mikibonacci/aiida-resource-registry
Resource registry for easy setup computer and code
mikibonacci/aiida-vibroscopy
Automated all-functionals infrared and Raman spectra, and phonons.
mikibonacci/aiida-wannier90-workflows
A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code
mikibonacci/aiida-yambo
Aiida Plugin and related Yambo development
mikibonacci/aiidalab-docker-stack
Docker images with the basic software stack for AiiDAlab
mikibonacci/aiidalab-qe
AiiDAlab App for Quantum ESPRESSO
mikibonacci/aiidalab-qe-muon
mikibonacci/aiidalab-widgets-base
Reusable widgets for AiiDAlab applications
mikibonacci/Euphonic
Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intensities from force constants.
mikibonacci/INS_app
mikibonacci/koopmans
Implementation of Koopmans-compliant functionals in Quantum ESPRESSO
mikibonacci/muesr
A python package containing tools and functions to evaluate local fields at the muon site for muon spin rotation and relaxation spectroscopy
mikibonacci/musconv
Supercell convergence checks from SCF forces
mikibonacci/mystmd-quickstart
Repository to be used in the mystjs quickstart guide
mikibonacci/phonopy-docker
Simple phonopy docker to run via Appcontainer
mikibonacci/quantum-mobile
A Virtual Machine for computational materials science
mikibonacci/tools-phonon-dispersion
Visualize interactively phonon dispersions and their eigenvectors
mikibonacci/wannier90
Official repository of the Wannier90 code
mikibonacci/yambopy
Python scripts to manage and postprocess quantum espresso and yambo calculation.