Starred repositories
A Python3 implementation of the Spectroscopic Limited Maximum Efficiency (SLME) analysis of solar absorbers
This project implements an XGBoots machine-learning algorithm to uncover structure composition-saturation magnetization relationship for non-stoichiometric metal substituted ferrites. Essential to …
DFT optimised crystal structures of inorganic and hybrid halide perovskites
This is a repository which contains all my work related Machine Learning, AI and Data Science. This includes my graduate projects, machine learning competition codes, algorithm implementations and …
Exchange parameters of Heisenberg model calculation via Green's function approach
TPs pour les cours de Mécanique Quantique, Master Physique et Physique Numérique
The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical conductivities, and electronic thermal conductivities) by using …
A high-performance framework for solving phonon and electron Boltzmann equations
The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).
A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.
Code for the Selected Columns of the Density Matrix suite of algorithms
CPLAP is a program designed to determine the thermodynamical stability of a material, and, if it is stable, to determine the ranges of the constituent elements' chemical potentials within which it …
Some reading notes on Density Functional Theory
things dummies need to know before doing quantum field theory
Code, documentation, V&V, and experimental results for the foundational 2-D Cluster Variation Method network
The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.
Set of utilities for using Quantum-Espresso with ASE and ipython notebooks.
Plugin for Blender software allowing the representation of cristallographic structures stored in CIF files.