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mohamedelrefaiy/README.md

Mohamed Elrefaiy

Ph.D. Candidate Β· Computational Scientist Β· Software Engineer

Building software at the intersection of science and engineering β€” from molecular simulations to AI-powered tools

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About

I'm a Ph.D. candidate at The University of Texas at Austin, where my research focuses on computational modeling of molecular systems β€” building quantum mechanical models, running simulations, and writing software to extract meaning from complex scientific data.

Outside of academia, I build software that solves real problems: AI-powered job application tools, personal finance dashboards, and open-source Python packages for the scientific community.

Currently open to software engineering and data science roles.


Featured Projects

Project Description Stack
kairos Turns a job description into a tailored, ATS-clean, advisor-reviewed CV PDF β€” without the AI-written smell Claude Code HTML AI
Alprotein Modular toolkit for excitonic Hamiltonians and optical spectra of molecular aggregates Python NumPy SciPy
NeuralFinance Neural network package for financial time-series analysis and prediction Python PyTorch Pandas
publication-scripts Reproducible analysis workflows and code supporting my peer-reviewed research papers Python Jupyter
pdbtoolkits Python toolkit for parsing and analyzing PDB protein structure files Python Bioinformatics

Skills

Languages

Python TypeScript Bash SQL

ML / Data Science

PyTorch TensorFlow NumPy Pandas scikit-learn Jupyter

Scientific Computing

SciPy Matplotlib

Tools & Cloud

Git Linux Google Cloud VS Code


Research

The University of Texas at Austin β€” Ph.D. Candidate
Computational modeling of molecular aggregates, quantum mechanical simulations, optical spectra analysis

My research bridges quantum chemistry and software engineering β€” I write production-quality Python packages to model the physics of molecular systems, then validate them against experimental data.

See my publication scripts for reproducible code accompanying my papers.


Open to collaborations in scientific software, AI/ML, and data-driven research.

Pinned Loading

  1. kairos kairos Public

    Your AI job search strategist: assess fit, tailor your CV, stress-test it, and prep for interviews, all from the terminal.

    HTML

  2. Alprotein Alprotein Public

    Alprotein: A modular toolkit for excitonic Hamiltonians and optical spectra of molecular aggregates

    Python

  3. publication-scripts publication-scripts Public

    A collection of code, workflows, and analysis files supporting my research papers across multiple years and projects.

    Python

  4. NeuralFinance NeuralFinance Public

    This is the Alpha release of the Neural Finance package.

    Python 2

  5. pdbtoolkits pdbtoolkits Public

    Python toolkit for parsing, analyzing, and manipulating PDB protein structure files

    Python