RenkeHuang

RenkeHuang's Stars

• dev-cafe/cmake-cookbook

  CMake Cookbook recipes.

  Language:C++2.7k69249691

• openmm/openmm

  OpenMM is a toolkit for molecular simulation using high performance GPU code.

  Language:C++1.5k812.7k512

• jupyter/nbgrader

  A system for assigning and grading notebooks

  Language:Python1.3k43925316

• cp2k/cp2k

  Quantum chemistry and solid state physics software package

  Language:Fortran83239704383

• CrawfordGroup/ProgrammingProjects

  C++ Programming Tutorial in Chemistry

  4062213134

• aws/amazon-braket-examples

  Example notebooks that show how to apply quantum computing in Amazon Braket.

  Language:Python3893832193

• unitaryfund/mitiq

  Mitiq is an open source toolkit for implementing error mitigation techniques on most current intermediate-scale quantum computers.

  Language:Python35714858157

• libAtoms/QUIP

  libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io

  Language:Fortran34726465122

• phonopy/phonopy

  Phonon code

  Language:Python34728133215

• psi4/psi4numpy

  Combining Psi4 and Numpy for education and development.

  Language:Jupyter Notebook3333630155

• dftbplus/dftbplus

  DFTB+ general package for performing fast atomistic simulations

  Language:Fortran32522318165

• qiskit-community/qiskit-nature

  Qiskit Nature is an open-source, quantum computing, framework for solving quantum mechanical natural science problems.

  Language:Python29914435202

• materialsvirtuallab/matgl

  Graph deep learning library for materials

  Language:Python253129159

• mdolab/pyoptsparse

  pyOptSparse is an object-oriented framework for formulating and solving nonlinear constrained optimization problems in an efficient, reusable, and portable manner.

  Language:Python22122149106

• quantumlib/Qualtran

  Qᴜᴀʟᴛʀᴀɴ is a Python library for expressing and analyzing Fault Tolerant Quantum algorithms.

  Language:Python1611642340

• qiskit-community/ibm-quantum-challenge-fall-22

  For IBM Quantum Fall Challenge 2022

  Language:Jupyter Notebook11912287

• goodchemistryco/Tangelo

  A python package for exploring end-to-end chemistry workflows on quantum computers and simulators.

  Language:Python10074027

• doyle-lab-ucla/auto-qchem

  Auto-QChem is an automated workflow for the generation and storage of DFT calculations for organic molecules.

  Language:Python8351718

• GkAntonius/feynman

  Sharp-looking Feynman diagrams in python

  Language:Python656334

• block-hczhai/block2-preview

  Efficient parallel quantum chemistry DMRG in MPO formalism

  Language:C++6499323

• JoonhoLee-Group/ipie

  ipie stands for Intelligent Python-based Imaginary-time Evolution with a focus on simplicity and speed.

  Language:Python49811724

• edeprince3/pdaggerq

  Language:C++4382210

• iDEA-org/iDEA

  interacting Dynamic Electrons Approach

  Language:Jupyter Notebook261617

• gayverjr/opencap

  An open source program for the description of metastable electronic states in molecules.

  Language:C++197

• hrgrimsl/adapt

  Language:Python16301

• sokolov-group/prism

  Python-based implementation of electronic structure theories for simulating spectroscopic properties

  Language:Python123

• hczhai/fci-siso

  State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI

  Language:Python8102

• hrgrimsl/taylor_ucc

  Language:Python42

• StefanoBarison/quantum_simulation_with_IAO

  This repository contain the code used in " Quantum simulation of molecular systems with intrinsic atomic orbitals" paper https://arxiv.org/abs/2011.08137

  Language:Python42

• RibeiroGroup/Tutorials

  Collection of tutorials from basic programming to relevant theory

  Language:Julia28