lucasyzhu Goto Github PK

aiida-phonopy

Phonon for AiiDA

computation-simulation

《能源环境材料计算模拟方法》学习笔记，包括linux基础命令、pbs作业管理系统、vaspkit、materials studio等。

computationalcondensedphysics

data-structures-using-python

go

Algorithms Implemented in GoLang

lucasyzhu.github.io

Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes

negf-phonon-1d-matlab

A 100-line Matlab code for phonon transport in 1D atomic chain using the NEGF method

phononflow

A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.

phonontb

Construct phonon tight-binding model and calculate its topological properties

plot_scripts_matplotlib

quantumtransportexperiment

#Mesoscopic Physics #Quantum Transport #Shot Noise

qutip-lectures

Lectures on QuTiP: slides and ipython notebooks

simple-md-matlab

A 100-line molecular dynamics code written in matlab

solid-state-physics

Sample codes on computational solid state physics

tbhcnn

Prototype code of the tight-binding hamiltonian construction neural network model. Check the example_basic_method.py to construct a TB model for the InSe nanoribbon; Check the example_variation_one.py to optimize a given Wannier TB model for 2-D black phosphorus.

torchani

Accurate Neural Network Potential on PyTorch

twisted_bilayer_graphene

electronic structure calculation of twisted bilayer graphene

upho

Band unfolding for phonons

vasp_script

Useful scripts for VASP

vaspstudio

An useful tool to submit your VASP job on HPC, manage your jobs and extract eneries...自动化VASP任务提交、计算结果提取，任务文件管理的工具