kcantosh's repositories
automatminer
An automatic engine for predicting materials properties.
DMFTwDFT
A framework to treat strongly correlated materials using beyond-DFT methods
DS-python-data-analysis
Data manipulation, analysis and visualisation in Python - specialist course Doctoral schools of Ghent University
inelastica
Python package for eigenchannels, vibrations and inelastic electron transport based on SIESTA/TranSIESTA DFT
jarvis
Joint Automated Repository for Various Integrated Simulations (JARVIS) is an integrated framework for computational science using density functional theory, classical force-field/molecular dynamics and machine-learning.
kcantosh.github.io
Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes
qiskit-nature
Quantum Nature
quantum-computing
:rocket: Introduction to Quantum Computing and Quantum Algorithms with IBM Qiskit and D-Wave :mortar_board:
quantum-mobile
A Virtual Machine for computational materials science
qutip
QuTiP: Quantum Toolbox in Python
sisl
Scientific Python toolbox for large scale tight-binding and electronic structure calculations (DFT and NEGF analysis)
ThermoelectricGeneratorDesignAndSimulation
Graphical User Interface to design and simulate thermoelectric generators.
ts-tbt-sisl-tutorial
Tutorials for the sisl-TBtrans-TranSiesta suite
wannier-berri
python realization of some of postw90 functional.