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pkawak/README.md

Hi, I’m Pierre 👋

Computational scientist | Polymer physics | C++/CUDA/Python simulation software

I develop simulations and scientific software to understand how molecular interactions shape the properties of polymers. My work combines molecular dynamics, Monte Carlo methods, and theory to study polymer structure, dynamics, and mechanical reinforcement.

I hold a PhD in Chemical Engineering from Brigham Young University. My software work includes AMDAT, a fast, scalable molecular dynamics analysis code (software preprint); MCPC, a GPU-accelerated C++/CUDA simulation code; and FESP, a filled elastomer simulation package. I use virtual experiments to test physical hypotheses and connect molecular behavior to measurable material properties.

  • Tools: C++, CUDA, Python, Bash, LAMMPS, and high-performance computing.
  • Open to opportunities in computational science, scientific software, and data science.
  • Happy to connect about research collaborations and interesting problems.

Get in touch

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Prefer DMs or email.

Tech stack

C++ C Python Bash LAMMPS CUDA Git GitHub Actions SLURM

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  1. dssimmons-codes/AMDAT dssimmons-codes/AMDAT Public

    C++ toolkit for post-processing molecular dynamics trajectories, with a focus on high-performance static and dynamic analyses of amorphous/glassy/polymer materials.

    C++ 29 4

  2. xyz_analysis xyz_analysis Public

    Directory to share analysis codes of xyz files with Tree Soft Matter Theory group

    Python 2

  3. Pierre_Academic_CV Pierre_Academic_CV Public

    TeX

  4. dssimmons-codes/fesp dssimmons-codes/fesp Public

    Filled Elastomer Simulation Package

    Python