Lei's repositories
2D-Cluster-Variation-Method
Code, documentation, V&V, and experimental results for the foundational 2-D Cluster Variation Method network
atomate2
atomate2 is a library of computational materials science workflows
calphy
A Python library and command line interface for automated free energy calculations
CASM_scripts
This repository is for helpful scripts for the CASM software.
CASMcode
First-principles statistical mechanical software for the study of multi-component crystalline solids
chemml
ChemML is a machine learning and informatics program suite for the chemical and materials sciences.
dfttk
Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.
enumlib
Derivative structure enumeration library
group-website
Group website! Thanks UWSAMPA for template.
jax-md
Differentiable, Hardware Accelerated, Molecular Dynamics
kineclue
KineCluE - Version 1 (2019)
lammps
Public development project of the LAMMPS MD software package
nano281
Data Science for Materials Science
nequip
NequIP is a code for building E(3)-equivariant interatomic potentials
open-sustainable-technology
Open technology projects sustaining stable climate, energy supply and vital natural resources. https://opensustain.tech/
opencalphad
Open Calphad, thermodynamic calculation code
p4vasp
p4vasp, the VASP Visualization Tool
predict-CH
Accelerated Discovery of Proton Conducting Perovskite Oxide by Capturing Physicochemical Fundamentals of Hydration
prometheusCV
The non-template for academic CVs in latex
PyBaMM
Fast and flexible physics-based battery models in Python
pyiron
pyiron - an integrated development environment (IDE) for computational materials science.
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.
qiskit
Qiskit is an open-source framework for working with noisy quantum computers at the level of pulses, circuits, and algorithms.
rkurchin.github.io
Code to maintain my personal website.
sod
Site-Occupation Disorder
thefuck
Magnificent app which corrects your previous console command.