kcantosh's repositories
ASCENDS
Advanced data SCiEnce toolkit for Non-Data scientists
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
fidimag
FInite DIfference microMAGnetic code, based on Python, Cython and C
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
kp_tblg
A relaxed kp model of twisted bilayer graphene
matminer
data mining for Materials Science
meep
free finite-difference time-domain (FDTD) software for electromagnetic simulations
mpb
MIT Photonic-Bands: computation of photonic band structures in periodic media
p2ptrans
An algorithm to match crystal structures atom-to-atom
psi4
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
pytket
Python module for interfacing with the CQC t|ket> library of quantum software
pyzfs
A python package to compute zero-field-splitting tensors for molecules and spin quantum bits in semiconductors.
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.
Z2Pack
A tool for calculating topological invariants.