sjtuzhanglei

2D-Cluster-Variation-Method

Code, documentation, V&V, and experimental results for the foundational 2-D Cluster Variation Method network

2DCalculations

Code for simulating 2D layered materials!

abICS

ab-Initio Configuration Sampling tool kit (abICS)

aimd

ase_tools

Tools to be used with the Atomic Simulation Environment (ASE). Currently, the main features are for VASP.

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

sjtuzhanglei/2D-Cluster-Variation-Method

Code, documentation, V&V, and experimental results for the foundational 2-D Cluster Variation Method network

sjtuzhanglei/atomate2

atomate2 is a library of computational materials science workflows

sjtuzhanglei/calphy

A Python library and command line interface for automated free energy calculations

sjtuzhanglei/CASM_scripts

This repository is for helpful scripts for the CASM software.

sjtuzhanglei/CASMcode

First-principles statistical mechanical software for the study of multi-component crystalline solids

sjtuzhanglei/chemml

ChemML is a machine learning and informatics program suite for the chemical and materials sciences.

sjtuzhanglei/dfttk

Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.

sjtuzhanglei/DOSnet

sjtuzhanglei/enumlib

Derivative structure enumeration library

sjtuzhanglei/group-website

Group website! Thanks UWSAMPA for template.

sjtuzhanglei/jax-md

Differentiable, Hardware Accelerated, Molecular Dynamics

sjtuzhanglei/kineclue

KineCluE - Version 1 (2019)

sjtuzhanglei/kMCpy

sjtuzhanglei/lammps

Public development project of the LAMMPS MD software package

sjtuzhanglei/Mat2Spec

sjtuzhanglei/nano281

Data Science for Materials Science

sjtuzhanglei/nequip

NequIP is a code for building E(3)-equivariant interatomic potentials

sjtuzhanglei/open-sustainable-technology

Open technology projects sustaining stable climate, energy supply and vital natural resources. https://opensustain.tech/

sjtuzhanglei/opencalphad

Open Calphad, thermodynamic calculation code

sjtuzhanglei/p4vasp

p4vasp, the VASP Visualization Tool

sjtuzhanglei/predict-CH

Accelerated Discovery of Proton Conducting Perovskite Oxide by Capturing Physicochemical Fundamentals of Hydration

sjtuzhanglei/prometheusCV

The non-template for academic CVs in latex

sjtuzhanglei/PyBaMM

Fast and flexible physics-based battery models in Python

sjtuzhanglei/pyiron

pyiron - an integrated development environment (IDE) for computational materials science.

sjtuzhanglei/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.

sjtuzhanglei/qiskit

Qiskit is an open-source framework for working with noisy quantum computers at the level of pulses, circuits, and algorithms.

sjtuzhanglei/rkurchin.github.io

Code to maintain my personal website.

sjtuzhanglei/Segal

sjtuzhanglei/sod

Site-Occupation Disorder

sjtuzhanglei/thefuck

Magnificent app which corrects your previous console command.