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nmarcella/README.md

Hi there 👋

I'm Nick, a scientist with the Joint Photon Institute at Stony Brook University. I'm interested in developing solutions to fun materials science problems with Python!

  • 🔭 I’m currently working on machine learning models for analyzing X-ray spectroscopy data, methods for automating theoretical X-ray calculations, and methods for validating molecular dynamics simulations with EXAFS and XANES. 🌱 I’m currently learning how to optimize code for deployment on high-performance clusters, and I'm also improving my AI skills.
  • ✨ Until recently, most of my coding work was done on my local computer. I intend to use Github more regularly in the coming months as I incorporate Git into my project management workflow.

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  1. AI_projects Public

    I'm using this repo to improve my AI skills.

    Jupyter Notebook

  2. Multi_dataset_fitting_larch Public

    Python

  3. Surge Public

    A repo for demonstrating the efficacy of NN surrogate models for XAS simulation

    Jupyter Notebook 1

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March 2025

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