Skip to content
View QuantumChemist's full-sized avatar
🐢
𝚠𝚎 𝚍օ 𝚠𝚑𝚊𝚝 𝚠𝚎 𝚖𝚞𝚜𝚝 𝚋𝚎𝚌𝚊𝚞𝚜𝚎 𝚠𝚎 𝚌𝚊𝚗
🐢
𝚠𝚎 𝚍օ 𝚠𝚑𝚊𝚝 𝚠𝚎 𝚖𝚞𝚜𝚝 𝚋𝚎𝚌𝚊𝚞𝚜𝚎 𝚠𝚎 𝚌𝚊𝚗
87 followers · 325 following

Achievements

Achievement: Pull Sharkx3Achievement: StarstruckAchievement: Pair Extraordinairex2Achievement: YOLOAchievement: Quickdraw

Achievements

Achievement: Pull Sharkx3Achievement: StarstruckAchievement: Pair Extraordinairex2Achievement: YOLOAchievement: Quickdraw

Block or report QuantumChemist

Block user

Prevent this user from interacting with your repositories and sending you notifications. Learn more about blocking users.

You must be logged in to block users.

Please don't include any personal information such as legal names or email addresses. Maximum 100 characters, markdown supported. This note will be visible to only you.
Report abuse

Contact GitHub support about this user’s behavior. Learn more about reporting abuse.

Report abuse
QuantumChemist/README.md

Linkedin: Christina Ertural GitHub Stars

Hi, I'm Chris,👋🏻 You can check out more here.

GitHub stats

Languages, Skills, Frameworks and Tools

icon
Github 		Git
Git 		Python
Python 		C++
C++ 		Python
JS 		Materials Project
Materials Project 		MongoDB
MongoDB 		PyCharm
PyCharm 		WebStorm
WebStorm 		Rasberry Pi
Raspberry Pi 3

trophy


Pinned Loading

  1. LobsterPyGUI LobsterPyGUI Public

    A graphical user interface for LobsterPy

    Makefile 20

  2. OpenGLaDOS OpenGLaDOS Public

    OpenGLaDOS chatbot using the llama3-70b-8192 and mixtral-8x7b-32768 LLMs.

    Python 7

  3. autoatml/autoplex autoatml/autoplex Public

    Code for automated fitting of machine learned interatomic potentials.

    Python 50 8

  4. JaGeo/LobsterPy JaGeo/LobsterPy Public

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

    Python 81 28

  5. materialsproject/atomate2 materialsproject/atomate2 Public

    atomate2 is a library of computational materials science workflows

    Python 170 99

  6. materialdigital/ADIS2023 materialdigital/ADIS2023 Public

    Interactive comparison of the same quantum espresso workflow implemented in Aiida, jobflow, pyiron and simstack.

    Jupyter Notebook 8 6