Pinned Repositories
.emacs
My .emacs file. Clone to ~/.emacs.d.
chempeng.github.io
ComputationalPhysics300
computational physics class taught at UNLV (Phys300)
docs-zh
docsify 中文文档
docsify
🃏 A magical documentation site generator.
HowToCook
程序员在家做饭方法指南。Programmer's guide about how to cook at home (Chinese).
image
blogimage
kpoints-brillouin
Generate kpoins for sampling Brillouin zones
LVTHW
myScripts
Script library mainly about chemical physics.
chempeng's Repositories
chempeng/myScripts
Script library mainly about chemical physics.
chempeng/.emacs
My .emacs file. Clone to ~/.emacs.d.
chempeng/chempeng.github.io
chempeng/ComputationalPhysics300
computational physics class taught at UNLV (Phys300)
chempeng/docs-zh
docsify 中文文档
chempeng/docsify
🃏 A magical documentation site generator.
chempeng/HowToCook
程序员在家做饭方法指南。Programmer's guide about how to cook at home (Chinese).
chempeng/image
blogimage
chempeng/kpoints-brillouin
Generate kpoins for sampling Brillouin zones
chempeng/LVTHW
chempeng/BILIBILI-HELPER
B站，哔哩哔哩（Bilibili）自动签到投币工具，每天轻松获取65经验值，支持每日自动投币，银瓜子兑换硬币，领取大会员福利，大会员月底给自己充电等功能。呐！赶快和我一起成为Lv6吧！
chempeng/fudanDaliy
平安复旦自动打卡
chempeng/jd_sign_bot
京东签到机器人
chempeng/notes-linear-algebra
线性代数笔记
chempeng/NotionNext
一个使用 NextJS + Notion API 实现的，部署在 Vercel 上的静态博客系统。为Notion和所有创作者设计。
chempeng/python-science-tutorial
Series of notebooks to illustrate different plotting features using Python
chempeng/python_1d_dft
1D density functional theory code in Python
chempeng/quantum-espresso
Personal fork of [Quantum Espresso](http://www.quantum-espresso.org/)
chempeng/source_lzxqaq
chempeng/the-craft-of-selfteaching
One has no future if one couldn't teach themself.
chempeng/thermoelectric.py
Thermoelectric.py is a computational framework that computes electron transport coefficients. It includes unique features to design the nanoscale morphology of thermoelectrics (TEs) to obtain electron scattering that will enhance thermoelectric performance through electron energy filtering. The code uses the semiclassical Boltzmann transport equation to compute the TE properties of electrical conductivity, Seebeck coefficient, electron contribution to thermal conductivity, etc. under single relaxation time approximation. The code has an interface with the VASP ab initio simulation package. What distinguishes Thermoelectric.py from other software such as BoltzTrap is sets of sub-tools that are implemented assist in modeling electron transport in semiconductors. These include a tool for self-consistent calculation of the Fermi level from a given carrier concentration, and a fast algorithm that uses Fermi’s golden rule to compute the energy dependent electron scattering rate due nanoparticles, pores and grain boundaries. The first of these subtools circumvent the problem that DFT underestimates the band gaps, and the second performs isosurface integrals to enable very dense but numerically efficient Brillouin Zone mesh sampling.
chempeng/vasp2cif
A program that converts VASP POSCAR files to crystallographic information file format (CIF)