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@geem-lab

Molecular Electronic Structure Group

⚛️📈 Molecular Electronic Structure Group
README.md

Welcome ⚛️

Welcome to the GEEM lab!

We are located in the Department of Chemistry at the Federal University of Santa Catarina, Florianópolis, Brazil.

We are committed to shedding light on the physical nature of unusual bonding situations, particularly those that take part in molecular recognition and self-assembly processes, materials, and transition metal complexes.

This GitHub organization and the website are oriented toward people interested in computational chemistry and its applications, providing them with a glimpse of our ongoing research activities and ourselves.

Pinned

  1. overreact overreact Public

    ⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data. Crafted at the @geem-lab.

    Python 48 7

  2. overreact-guide overreact-guide Public

    ⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data

    Jupyter Notebook 6 2

  3. pnictogen pnictogen Public

    ⚛️ A Python library and a command-line tool that creates input files for computational chemistry packages

    Python 18 4

  4. orcinus orcinus Public

    🧰 A simple yet precise graphical user interface for making inputs for the ORCA quantum chemistry package

    Python 6 2

  5. docker-hpc docker-hpc Public

    💾 Dockerfiles for software commonly used in computational chemistry research and development

    Dockerfile 8 1

  6. seminars seminars Public

    GEEM lab group seminars

    Python 5

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