Christina Ertural's repositories
LobsterPyGUI
A graphical user interface for LobsterPy
discord_bot_prototype
A very simple prototype for a customized Discord bot.
ADIS2023
Interactive comparison of the same quantum espresso workflow implemented in Aiida, jobflow, pyiron and simstack.
atomate2
atomate2 is a library of computational materials science workflows
HF-ein-Versuch
HF prgramming in python
how-to-validate-potentials
Some tutorial-style examples for validating machine-learned interatomic potentials
lix
Lisp-like functional programming toy language based on compiling to an interpreted lambda calculus.
LobsterPy
Package to automatically analyze LOBSTER (cohp.de) runs
phonopy
Phonon code
pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.
QuantumChemist
Portfolio
QuantumChemist.github.io
GitHub Page
VASP_LOL
VASP - Localized Orbital Locator
jobflow-remote
jobflow-remote is a Python package to run jobflow workflows on remote resources.
Learn-Lua
A repository for showcasing my knowledge of the Lua programming language, and continuing to learn the language.
lua-learning-material
The learning material used for my Lua course
Potato
If you fork this then you can say you forked a potato.
quacc
quacc is a flexible and extensible platform for high-throughput computational materials science and quantum chemistry.