Pinned Repositories
aimsgb
Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)
basic_language_comparison
blog
Personal website
CarrierCapture.jl
Package to compute trap-assisted electron and hole capture in semiconducting compounds
Charge-Defect-Analysis
Generating charge defect plots with energy correction included.
epwgen
script to generate input files for EPW
HEU_KMS_Activator
LVCSH
A Fortran code to simulation the non-adiabatic Molecular Dynamics in the Crystal Materials.
MBeautifier
MBeautifier is a MATLAB source code formatter, beautifier. It can be used directly in the MATLAB Editor and it is configurable.
nano-qmflows
Package containing several workflows to compute molecular properties for nanomaterials
misaraty's Repositories
misaraty/blog
Personal website
misaraty/aimsgb
Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)
misaraty/basic_language_comparison
misaraty/CarrierCapture.jl
Package to compute trap-assisted electron and hole capture in semiconducting compounds
misaraty/epwgen
script to generate input files for EPW
misaraty/HEU_KMS_Activator
misaraty/LVCSH
A Fortran code to simulation the non-adiabatic Molecular Dynamics in the Crystal Materials.
misaraty/MBeautifier
MBeautifier is a MATLAB source code formatter, beautifier. It can be used directly in the MATLAB Editor and it is configurable.
misaraty/nano-qmflows
Package containing several workflows to compute molecular properties for nanomaterials
misaraty/nonrad
Implementation for computing nonradiative recombination rates in semiconductors
misaraty/Cloud189Checkin-Actions
基于Github Actions的天翼云盘每日签到
misaraty/Project_SOC_perovskite_intraband_relaxation
input and output files for simulation of intraband relaxation with/without SOC in perovskite MAPbI3 in tetragonal phase
misaraty/pytorch-multi-gpu-training
整理 pytorch 单机多 GPU 训练方法与原理
misaraty/pytorch-summary
Model summary in PyTorch similar to `model.summary()` in Keras
misaraty/pytorchviz
A small package to create visualizations of PyTorch execution graphs
misaraty/README
README文件语法解读，即Github Flavored Markdown语法介绍
misaraty/scientific-visualization-book
An open access book on scientific visualization using python and matplotlib
misaraty/VaspBandUnfolding
a python class for dealing with VASP WAVECAR.
misaraty/VaspPoscarMayavi
Use 3D visualization software Mayavi to visualize VASP POSCAR file.
misaraty/VaspVib2XSF
Visualize vibrational modes from VASP calculations
misaraty/XDATCAR_toolkit
XDATCAR_toolkit- A tool for convert XDATCAR to PDB
misaraty/Zhuyonghao_public
Sharing the codes