Pinned Repositories
aces
A wrapper for many computational codes of thermal conductivity
alamode
Ab initio simulator for thermal transport and lattice anharmonicity
amset
Electronic transport properties from first-principles calculations
awesome-scientific-computing
:sunglasses: Curated list of awesome software for numerical analysis and scientific computing
cgal
The public CGAL repository, see the README below
colorschemer
Vim colorschemer
Debye-Callaway-model-u
python
Diffraction
Collection of MATLAB scripts for modeling of interaction between crystals and x-rays or electrons.
papers
Full data of our published papers
qlyang.github.io
Qiaolin-Yang
qlyang94's Repositories
qlyang94/aces
A wrapper for many computational codes of thermal conductivity
qlyang94/awesome-scientific-computing
:sunglasses: Curated list of awesome software for numerical analysis and scientific computing
qlyang94/cgal
The public CGAL repository, see the README below
qlyang94/dpgen
The deep potential generator
qlyang94/empirical_thermal_conductivity
Estimate the thermal conductivity using empirical models
qlyang94/epw-school-2021
2021 Virtual School on Electron-Phonon Physics and the EPW code
qlyang94/g_matric_EPW
qlyang94/irrep
qlyang94/jarvis
JARVIS-Tools: an open-source software package for data-driven atomistic materials design
qlyang94/JKGModel
Studies of the J-K-Gamma model on triangular lattice
qlyang94/lindemann-1
lindemann is a python package to calculate the Lindemann index of a lammps trajectory
qlyang94/LobsterPy
Package to automatically analyze Lobster runs
qlyang94/MachineLearningNote
qlyang94/material_simulation_scripts
Useful scripts for material simulation software & pkgs
qlyang94/matgenb
Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.
qlyang94/perturbo-examples-light
Examples of Perturbo input files without the outputs and HDF5 files.
qlyang94/phoebe
A high-performance framework for solving phonon and electron Boltzmann equations
qlyang94/PhononIrep
A phonon irreducible representations calculator
qlyang94/PolaronMobility.jl
Feynman's variational path-integral model for the Fröhlich polaron. Calculates temperature dependent polaron mobilities, and other polaron observables.
qlyang94/PySCF-PCI
qlyang94/Python
All Algorithms implemented in Python
qlyang94/qlyangc.io
个人主页
qlyang94/quantum-honeycomp
Package to perform tight binding calculation in tight binding models, with a friendly user interface
qlyang94/shci
Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
qlyang94/siman
Manager for first-principles calculations
qlyang94/TaS2
qlyang94/TBmodels
A tool for creating and manipulating tight-binding models.
qlyang94/vasp
New ASE compliant Python interface to VASP
qlyang94/VASP-plot-modes
Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP
qlyang94/VaspBandUnfolding
a python class for dealing with VASP WAVECAR.