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academicpage

My Academic Website

aten

Molecular / atomic coordinate editor

atomman

Atomistic Manipulation Toolkit

atomsk

Atomsk: A Tool For Manipulating And Converting Atomic Data Files -

calculate-defect-numbers-in-displacement-damage

This is a python script that can be used in ovito to calculate defect numbers in displacement damage

casmcode

First-principles statistical mechanical software for the study of multi-component crystalline solids

ddcmd

A fully GPU-accelerated molecular dynamics program for the Martini force field

dist

common dists in materials

gb_code

A grain boundary generation code

hhccpp

Generates c+a dislocation in HCP materials

horovod

Distributed training framework for TensorFlow, Keras, PyTorch, and Apache MXNet.

iprpy

NIST Interatomic Potential Repository property calculation tools

kinetic_monte_carlo_code

kmc_abvi_surface

Current kMC code

lammps_vscode

VSCODE extension for language support of LAMMPS scripts

mapidoc

Public repo for Materials API documentation

markdown-here

Google Chrome, Firefox, and Thunderbird extension that lets you write email in Markdown and render it before sending.

nanomaterialscad

openxy

plasticity

PRISMS Crystal Plasticity and Continuum Plasticity FEM code

pycac

The concurrent atomistic-continuum simulation environment

pyiron

pyiron - an integrated development environment (IDE) for computational materials science.

scd_wre

stochastic cluster dynamic simulation for W-Re alloy (a continuum diffusion-reaction modeling)

scrapy_tuto

Use sina news website as example to introduce scrapy