XiaoLiu161147
Gained BSc @ BNU. Did research @ UCLA / NYUSH. Currently a Chem PhD candidate @ Berkeley. Organic synthesis failure & dropout. TheoChem enthusiast.
UC Berkeley
Pinned Repositories
A-Quick-Tour-Guide-for-LinJun-Group
浙江大学王林军课题组本科生入门指南
abinit
The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are hosted on our https://gitlab.abinit.org/ server. Before embarking on making significant changes, please contact the Abinit group.
bagel
Brilliantly Advanced General Electronic-structure Library
ce-tddft
Real-time TDDFT for Quantum-Espresso
Chem179-Spring2024
Chinese-Landscape-Painting-Dataset
Dataset used for WACV 2021 paper: "End-to-End Chinese Landscape Painting Creation Using Generative Adversarial Networks"
cp2k
Quantum chemistry and solid state physics software package
EZSCF
EZSCF is the name of this purely Python-based RHF/RMP2 program of atomic systems, mainly used for the bachelor's thesis of Xiao Liu @ BNU. The name EZSCF is a homophone with "Easy SCF" and also a pun on the initial Chinese Pinyin letters of Xiao's beloved Alma Mater, Hangzhou No.2 High School (aka 杭州二中 or HZEZ).
github-slideshow
A robot powered training repository :robot:
pyscf
Python module for quantum chemistry
XiaoLiu161147's Repositories
XiaoLiu161147/EZSCF
EZSCF is the name of this purely Python-based RHF/RMP2 program of atomic systems, mainly used for the bachelor's thesis of Xiao Liu @ BNU. The name EZSCF is a homophone with "Easy SCF" and also a pun on the initial Chinese Pinyin letters of Xiao's beloved Alma Mater, Hangzhou No.2 High School (aka 杭州二中 or HZEZ).
XiaoLiu161147/Chem179-Spring2024
XiaoLiu161147/github-slideshow
A robot powered training repository :robot:
XiaoLiu161147/abinit
The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are hosted on our https://gitlab.abinit.org/ server. Before embarking on making significant changes, please contact the Abinit group.
XiaoLiu161147/bagel
Brilliantly Advanced General Electronic-structure Library
XiaoLiu161147/ce-tddft
Real-time TDDFT for Quantum-Espresso
XiaoLiu161147/Chinese-Landscape-Painting-Dataset
Dataset used for WACV 2021 paper: "End-to-End Chinese Landscape Painting Creation Using Generative Adversarial Networks"
XiaoLiu161147/cp2k
Quantum chemistry and solid state physics software package
XiaoLiu161147/cppe
C++ and Python library for Polarizable Embedding
XiaoLiu161147/CUDA-Programming-with-Python
关于书籍CUDA Programming使用了pycuda模块的Python版本的示例代码
XiaoLiu161147/cython
The most widely used Python to C compiler
XiaoLiu161147/hugo-theme-pure
A pure theme for Hugo
XiaoLiu161147/janus
Python library for adaptive QM/MM methods
XiaoLiu161147/JuliaChem.jl
A research-grade quantum chemistry program written in Julia
XiaoLiu161147/Learn-Vim
A book for learning the Vim editor the smart way.
XiaoLiu161147/libint
Libint: high-performance library for computing Gaussian integrals in quantum mechanics
XiaoLiu161147/libmsym
molecular point group symmetry lib
XiaoLiu161147/McMurchie-Davidson
do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals
XiaoLiu161147/MOLFDIR
Program for Molecular Fock Dirac calculations
XiaoLiu161147/mrh
MRH's research code
XiaoLiu161147/OpenFermion
The electronic structure package for quantum computers.
XiaoLiu161147/ProgrammingProjects
C++ Programming Tutorial in Chemistry
XiaoLiu161147/psi4
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
XiaoLiu161147/pybbfmm
Black-box fast multipole method package for Python
XiaoLiu161147/PyQchem
Python interface for Q-Chem
XiaoLiu161147/q-e
Mirror of the Quantum ESPRESSO repository
XiaoLiu161147/qcmaquis
Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.
XiaoLiu161147/QUICK
QUICK: A GPU-enabled ab intio quantum chemistry software package
XiaoLiu161147/RateMySupervisor
永久免费开源的导师评价数据、数据爬虫、无需编程基础的展示网页以及新信息补充平台
XiaoLiu161147/tequila
Rapid development of novel quantum algorithms