ecnuitaa Goto Github PK

abtem

ab initio Transmission Electron Microscopy

acad-homepage.github.io

AcadHomepage: A Modern and Responsive Academic Personal Homepage

agf-phonon-transport

A 200-line Matlab implementation of the Atomistic Green's function (AGF) method for phonon transport

aicrystallographer

Here, we will upload our deep/machine learning models and 'workflows' (such as AtomNet, DefectNet, SymmetryNet, etc) that aid in automated analysis of atomically resolved images

aimdfragmentation

A automated fragmentation method for Ab Initio Molecular Dynamics (AIMD).

airebo-m

Source files for implementation of the AIREBO-M interatomic potential

allegro

Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials

amset

Electronic transport properties from first-principles calculations

apex

APEX: Alloy Properties EXplorer using simulations

aquami

architector

The architector python package - for 3D metal complex design. C22085

atomate

atomate is a powerful software for computational materials science and contains pre-built workflows.

atomistic-structure-for-arbitrary-polycrystaline-graphene

Inspired by the algorithm proposed by Ophus et. al. in their paper titled "Large-Scale Experimental and Theoretical Study of Graphene Grain Boundary Structures", 2015, this study is aimed to create a novel python script to generate atomistic structures of polycrystalline graphene with arbitrary grain distributions like gradient grain size

atomviewer

awesome-vpn

VPN/proxy WIKI .Find the truly free VPN/proxy 真正免费的VPN 代理 账号 翻墙 科学上网 梯子 机场

bopcat

A python package for parametrizing and testing bond-order potentials and tight-binding models

calphy

A Python library and command line interface for automated free energy calculations

cascadesim

End to end scripts for LAMMPS simulating cascade and defect extraction.

cdb-analysis-program

A graphical user interface (GUI) that helps analyze data from coincidence Doppler broadening positron annihilation spectroscopy. It is a quick tool to rapidly reduce large data and conveniently analyze multiple datasets.

chathub

All-in-one chatbot client

chicolucio-phasediagram

chromeappheroes

🌈谷粒-Chrome插件英雄榜, 为优秀的Chrome插件写一本中文说明书, 让Chrome插件英雄们造福人类~ ChromePluginHeroes, Write a Chinese manual for the excellent Chrome plugin, let the Chrome plugin heroes benefit the human~

ciacs

This program has been designed to assist with the tracking of a sample from one analytical instrument to another such as SEM, microscopes, micro x-ray diffraction and other instruments where particular positions/locations on the sample are examined, photographed, etc..

coolhue

Coolest Gradient Hues and Swatches

copytranslator

Foreign paper reading and translation assistant based on copy and translate.(Latest: v0.0.7-Kylin-RC1)

corr_sup_surf_sim

MATLAB code simulating natural corrosion under charge-conservation conditions

cryslator

crystallizationmechanismsfromml

Collection of custom code and script accompanying the journal publication.

crysxpp

Code for Crysxpp for NPJ Computational Submission

cuda-programming

Sample codes for my CUDA programming book