Pinned Repositories
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
kwant-3d-tunneling
Electron tunneling through an arbitrary 3d potential barrier with kwant.
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/phase-field-crystal-mpi
Phase-field crystal solidification simulation codes (mpi C++ and python)
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/electron-emission
Tools for evaluating emission currents and Nottingham heating using various theoretical models
eimrek/homa
Harmonic Oscillator Model of Aromaticity
eimrek/optimade-tutorial-exercises
Tutorial exercises for the OPTIMADE API
eimrek/kwant-3d-tunneling
Electron tunneling through an arbitrary 3d potential barrier with kwant.
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-ddec
AiiDA plugin for the DDEC code
eimrek/aiida-deepmd
aiida plugin of deepmd
eimrek/aiida-optimade
OPTIMADE RESTful API implementation for AiiDA
eimrek/aiida-quantumespresso
The official AiiDA plugin for Quantum ESPRESSO
eimrek/aiida-registry
Find plugins for AiiDA
eimrek/aiidalab-aiida
AiiDA Lab Application for managing AiiDA
eimrek/aiidalab-cscs
Materials Cloud App for CSCS
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/cclib
Parsers and algorithms for computational chemistry logfiles
eimrek/cclib-data
Computational chemistry logfiles used as regression tests by cclib
eimrek/mc-ising
Monte Carlo Ising model
eimrek/ProbeParticleModel
classical forcefiled model for simulation atomic force microscopy images
eimrek/pybinding
Scientific Python package for tight-binding calculations in solid state physics
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/tgkp
A widget for the calculation and visualization of twisted multilayer graphene systems powered by Dash.
eimrek/voila-optimade-client
Import structures in AiiDA lab using OPTIMADE