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samuelhoover/README.md

Actively looking for full-time opportunities starting Fall 2024!
Check out my personal webpage for more details about my experience and skills

I am a recent Chemical Engineering Ph.D. graduate from UMass Amherst and former PPG Fellow. I use a variety of computational and analytical methods to study the phase behavior and self-assembly of synthetic and biological systems in the Muthukumar Group.

Selected projects:

  • Theory for pH-responsive polyzwitterion-polyelectrolyte complexation [Ref]
  • 3D convolutional neural networks to predict adsorption properties in nanoporous materials [Ref]
  • Spinodal decomposition via the Cahn-Hilliard equation [repo]
  • Helper script for the senior lab course I have TA'ed [repo]

Projects in the pipeline:

  • Explainable machine learning to study how monomer sequence impacts microphase behavior [in preparation]
  • Atomistic, explicit solvent simulation to validate findings from Chen, S. & Wang, Z.-G. PNAS 2022

Languages and Tools:

Python C shell script NumPy Pandas sklearn PyTorch Matplotlib Docker LaTeX NeoVim

Pinned

  1. chan-ml chan-ml Public

    Using neural networks to predict Henry's constant from zeolite chemistry and channel descriptors.

    Python

  2. spinodal-decomposition spinodal-decomposition Public

    Python code to model spinodal decomposition using the Cahn-Hilliard equation.

    Python 2

  3. peer-critiques-anonymizer peer-critiques-anonymizer Public

    Automatically anonymize, aggregate, and distribute peer critiques for ChE 401/402 (senior lab).

    Python

  4. gromacs-tutorials gromacs-tutorials Public

    GROMACS tutorials and exercises.

    Python