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Gang Tang's Projects

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Corrections for formation energy and eigenvalues for charged defect simulations

computation-simulation icon 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。

course-pandas icon course-pandas

Data processing with Pandas course for the CM Hub at Imperial College

cp2k-input-tools icon cp2k-input-tools

Fully validating pure-python CP2K input file tools including preprocessing capabilities

critic2 icon critic2

Analysis of quantum chemical interactions in molecules and solids.

cryspy icon cryspy

Website and document: https://tomoki-yamashita.github.io/CrySPY

crystaltoolkit icon crystaltoolkit

Crystal Toolkit is an interactive web app that allows you to import, view, analyze and transform crystal structures and molecules. It is also a suite of ready-made UI components to render Materials Project data using the Dash framework from Plotly.

csld icon csld

Compressive sensing lattice dynamics

defectcorrectionsnotebook icon defectcorrectionsnotebook

A jupyter notebook workflow for performing post-processing finite-size corrections to periodic electronic structure calculations of charged defect supercells compatible with outputs from the software package FHI-aims.

defectswiththeboys icon defectswiththeboys

Collection of Python modules & functions to perform and process solid-state defect calculations

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