Pinned Repositories
aiida-common-workflows
A repository for the implementation of common workflow interfaces across materials-science codes and plugins
dealii-field-currents-heating
FEM code for electric field, electric currents and heating calculations
electron-emission
Tools for evaluating emission currents and Nottingham heating using various theoretical models
homa
Harmonic Oscillator Model of Aromaticity
optimade-tutorial-exercises
Tutorial exercises for the OPTIMADE API
phase-field-crystal-mpi
Phase-field crystal solidification simulation codes (mpi C++ and python)
py-simple-fem-elstatics
Simple Python electrostatics finite element method implementation with a GUI
tb-mean-field-hubbard
Python code for solving the tight-binding mean field Hubbard hamiltonian
transfer-matrix-method
Electron tunneling through an arbitrary 1D potential barrier
cp2k-spm-tools
Scanning probe microscopy simulation tools based on CP2K
eimrek's Repositories
eimrek/tb-mean-field-hubbard
Python code for solving the tight-binding mean field Hubbard hamiltonian
eimrek/dealii-field-currents-heating
FEM code for electric field, electric currents and heating calculations
eimrek/py-simple-fem-elstatics
Simple Python electrostatics finite element method implementation with a GUI
eimrek/homa
Harmonic Oscillator Model of Aromaticity
eimrek/optimade-tutorial-exercises
Tutorial exercises for the OPTIMADE API
eimrek/aiida-common-workflows
A repository for the implementation of common workflow interfaces across materials-science codes and plugins
eimrek/aiida-core
The official repository for the AiiDA code
eimrek/aiida-cp2k
The CP2K plugin for the AiiDA workflow and provenance engine.
eimrek/aiida-metapkg
The aiida metapackage installs aiida-core plus some common dependencies
eimrek/aiida-optimade
OPTIMADE RESTful API implementation for AiiDA
eimrek/aiida-registry
Find plugins for AiiDA
eimrek/aiidalab-empa-surfaces
eimrek/aiidalab-registry
Central app registry for jupyter.materialscloud.org
eimrek/aiidalab-widgets-base
AiiDA widgets for AiiDA lab applications
eimrek/asm-c-sort-comparison
Compare sorting algorithms implemented in assembly and C
eimrek/bz-vite-anywidget-demo
eimrek/cclib
Parsers and algorithms for computational chemistry logfiles
eimrek/cclib-data
Computational chemistry logfiles used as regression tests by cclib
eimrek/discover-mc3d-copy
eimrek/disk-objectstore
An implementation of an efficient "object store" (actually, a key-value store) writing files on disk and not requiring a running server
eimrek/mc-ising
Monte Carlo Ising model
eimrek/mc2d-archive-entry
eimrek/providers
This repository hosts the providers.json file for OPTIMADE that lists reserved database-specific prefixes and URLs to the index databases of all database providers that participate in the OPTIMADE network
eimrek/pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
eimrek/rtd-tests
eimrek/rtd-tests-subproject
eimrek/test-react-flow
eimrek/tgkp
A widget for the calculation and visualization of twisted multilayer graphene systems powered by Dash.
eimrek/Transport_app
TBETA (Tight-Binding Electronic Transport Application) for graphene nanoribbon junctions.
eimrek/voila-optimade-client
Import structures in AiiDA lab using OPTIMADE