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Matt-A-Thompson/README.md

👋 Hi, I’m @Matt-A-Thompson

  • I'm a PhD student in the Mechanical Engineering department at University College London, UK.

  • I’m interested in developing molecular modelling methods, particularly CP2K, as well as other MM programs.

  • I’m currently working on methods to further understand materials used in green hydrogen production, as well as creating workflows for bulk molecular modelling jobs.

  • I also maintain the PyRTP code (https://github.com/Matt-A-Thompson/PyRTP), a simple-to-use, Python-based DFT and RT-TDDFT program for teaching and fast research testing.

  • If you'd like to help with PyRTP or any other projects, let me know!

  • The best way to reach me is via email: matthew.thompson.24@ucl.ac.uk

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  1. PyRTP PyRTP Public

    Project files/source code for the PyRTP program

    Jupyter Notebook 2