Skip to content
View JaGeo's full-sized avatar
👋
Happy to talk about my projects!
👋
Happy to talk about my projects!
187 followers · 430 following

Achievements

Achievement: Pair Extraordinairex3Achievement: Pull Sharkx3Achievement: QuickdrawAchievement: YOLOAchievement: StarstruckAchievement: Arctic Code Vault Contributor

Achievements

Achievement: Pair Extraordinairex3Achievement: Pull Sharkx3Achievement: QuickdrawAchievement: YOLOAchievement: StarstruckAchievement: Arctic Code Vault Contributor

Highlights

  • Pro

Organizations

@materialsproject

Block or report JaGeo

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
JaGeo/README.md

Hi there 👋

👩‍🔬 I am a permanent researcher and junior group leader at the Federal Institute for Materials Research and Testing (Bundesanstalt für Materialforschung und -prüfung) in Berlin, Germany, and I develop code to do materials science. Since September 2023, I am also a Professor for Materials Informatics at FSU Jena (https://www.uni-jena.de/).

⚛️ I am searching for new materials with desired properties for thermoelectric materials, solar cells and batteries. I aim at understanding materials properties with the help of bonding analysis (🦞) and coordination environments. For example, I have assessed the predictive power of the Pauling rules. We have also developed a code to automatically perform bonding analysis: LobsterPy 🦞🐍, and we are co-developing a tool to fit machine-learned interatomic potentials automatically: autoplex.

👩‍💻 I have contributed to pymatgen, custodian, atomate, and atomate2. I am currently part of the Materials Project Software Foundation. I have also developed some smaller packages to analyse phonons.

📃 You can find a list of my publications here.

💻 My website contains more info. And, you can find me on Mastodon, Twitter and LinkedIn

🔥 My Stats:

My Awesome Stats

Pinned Loading

  1. LobsterPy LobsterPy Public

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

    Python 80 28

  2. materialsproject/atomate2 materialsproject/atomate2 Public

    atomate2 is a library of computational materials science workflows

    Python 169 96

  3. autoatml/autoplex autoatml/autoplex Public

    Code for automated fitting of machine learned interatomic potentials.

    Python 47 7

  4. materialsproject/pymatgen materialsproject/pymatgen Public

    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 …

    Python 1.5k 867

  5. phonopy/phonopy phonopy/phonopy Public

    Phonon code

    Python 357 220

  6. materialsproject/foundation materialsproject/foundation Public

    Ruby 17 5