Discover @JaGeo Open Source projects

J. George (@JaGeo)

JaGeo

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Global Rank 146,456 (Top 6 %)
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Following 409
Registered about 8 years ago
Most used languages

Python
58.3 %

Jupyter Notebook
25.0 %

HTML
8.3 %

MATLAB
8.3 %
Location 🇧🇪 Belgium
Country Total Rank 910
Country Ranking

Jupyter Notebook
72

MATLAB
99

Python
138

HTML
605

LobsterPy

Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemistry

IR

Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP

Advanced_Jobflow_Tutorial

This is a repository containing an advanced tutorial for jobflow (https://github.com/materialsproject/jobflow) related to computational materials science

Jupyter Notebook

TutorialAtomate2Forcefields

Tutorial to learn basic features of atomate2

Jupyter Notebook

AtomicContributions

Vizualisation of Atomic Contributions to Phonon Modes

PaulingPublication

This repository allows to reproduce the Assessment of the Pauling Rules

LobsterAutomation

This is a package to reproduce the publication on Lobster automation

MolecularToolbox

Converts anisotropic displacement parameters to different parametrizations and can also handle Phonopy output.

Phonons_GAPs_silicon

Repository to reproduce "Combining phonon accuracy with high transferability in Gaussian approximation potential models"

JaGeo.github.io

Tutorial_ChemEnv

Jupyter Notebook

ChemEnvFAQ

Scripts to answer frequently asked questions about Chemenv