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Hi there šŸ‘‹

My name is Nick, and I'm a postdoctoral research associate at the University of Illinois Urbana-Champaign and Brookhaven National Lab. I'm interested in developing solutions to fun materials science problems with Python!

  • šŸ”­ Iā€™m currently working on machine learning models for analyzing X-ray spectroscopy data, methods for automating theoretical X-ray calculations, and OVITO-based methods for extracting useful parameters from molecular dynamics simulations of nanoparticles. šŸŒ± Iā€™m currently learning how to optimize code for deployment on high-performance clusters, and I'm also improving my AI skills.
  • āœØ 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.

Nicholas Marcella's Projects

clusterovito icon clusterovito

This repo is meant to organize my MD-EXAFS codes for use on HPCs. It makes heavy use of the OVITO

xron icon xron

Xron (Chi-ron) is a Python library with my XAFS-related functions.

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