Sungyun Kim's repositories
wannier_alpha
Calculate absorption coefficients using Wannier90
awesome-nonradiative-recombination-papers
A curated list of nonradiative recombination papers
PyPolyhedron
Python3 support for PyPolyhedron by Pearu Peterson from http://cens.ioc.ee/projects/polyhedron/
wannier-berri
Advanced tool for Wannier interpolation and integration of k-space integrals
2019-defect-tolerance
Code from the 2019 Final Year Project
frssp.github.io
My homepage
abinit-grp-develop
Internal development version of abinit
aiida-core
The official repository for the AiiDA code
alamode
Ab initio simulator for thermal transport and lattice anharmonicity
Awesome-Paper-List
A curated list of repositories in which many NLP/CV/ML papers and related area resources are collected.
awesome-productivity
A curated list of delightful productivity resources.
Brooglie
Solve the {1,2,3}D time-independent Schrödinger equation for a single particle.
CatKit
General purpose tools for high-throughput catalysis
cplapy
A 3D plotting tool for cplap.
Hefei-NAMD
ab-initio nonadiabatic molecular dynamics program
librascal
A scalable and versatile library to generate representations for atomic-scale learning
ModeMap
A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.
pretty-putty
Pretty PuTTY
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.
shields
Concise, consistent, and legible badges in SVG and raster format
Shockley-Queisser-limit
Calculation and visualization tools for theoretical solar cell efficiencies based on the Shockley Queisser limit with options to change temperature, light intensity, and radiative efficiency
sumo
Heavyweight plotting tools for ab initio calculations
workshop-july-2022
Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022