Stars
Tensor Network States for Quantum Chemistry
A Python package for first-principles calculations of spin-orbit coupling (SOC) matrix elements and SOC contribution to zero-field splitting tensors
Standalone, open-source suite of quantum chemistry methods for strongly correlated electrons
Alternative backends for constructing MPOs from sums of operators.
PySCF extension for optical/magnetic properties of lanthanide-based materials (under development)
Toolbox for manipulating, optimising, and generating code for Einstein summations
Show node occupancy and job information for the SLURM job system.
Implementation of sparse Pauli dynamics in Python
The PyPES library of high quality semi-global potential energy surfaces
High-quality PNGs for logos I made for fun
Notes on Electronic Structure Theory (CHEM532)
pbrt 中文整合翻译 基于物理的渲染：从理论到实现 Physically Based Rendering: From Theory To Implementation
《Hello 算法》：动画图解、一键运行的数据结构与算法教程。支持简中、繁中、English、日本語，提供 Python, Java, C++, C, C#, JS, Go, Swift, Rust, Ruby, Kotlin, TS, Dart 等代码实现
A computer science textbook
CUDA Templates and Python DSLs for High-Performance Linear Algebra
A library for visualization and creative-coding
Polariton and polaron (electron-boson coupled) systems from a quantum chemical perspective.
public version of our general contraction code project
A C++ library for evaluating non-orthogonal matrix elements in electronic structure
Jupyter notebook for an introduction to atomic-scale machine learning class
A library for X-ray spectrum simulation
Automatic equation of motion coupled cluster generator