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jwjeffr/README.md

Hi there 👋

My name is Jacob and I am currently a Ph.D. student in Materials Science and Engineering in the MUEXLY group at Clemson University 🐅. I am also a graduate student in the Theoretical Division at Los Alamos National Laboratory. My ORCID and Google scholar profiles can be respectively found here and here.

☕ If you find my projects useful, please consider buying me a coffee!

🌟 I specialize in:

  • Monte Carlo methods
  • Molecular dynamics
  • Multi-scale modeling
  • Statistical mechanics

I am also an officer for Clemson University's premier Esports organization: Clemson Esports 🖥️. Here, I take on more traditional software engineering projects, such as creating and maintaining bots for the organization's Discord server.

🌱 I am currently working on:

  • Transport and grain boundary segregation in High Entropy Alloys
  • Multi-scale modeling of radiation-induced segregation
  • Diffusion on rough potential energy surfaces
  • Non-equilibrium vacancy transport in tungsten
  • Kinetic Monte Carlo simulations of organic nanocrystalline growth

Pinned Loading

  1. cv cv Public

    My CV

    TeX

  2. cluster_expansion_pytorch cluster_expansion_pytorch Public

    library for performing a cluster expansion fitting with PyTorch

    Jupyter Notebook 1

  3. impurities impurities Public

    Codebase for calculating impurity concentration in a solid solution

    Python

  4. MUEXLY/cowley_sro_parameters MUEXLY/cowley_sro_parameters Public

    OVITO modifier to calculate the Cowley SRO parameter in a molecular dynamics run

    Python

  5. MUEXLY/arrhenius_rate MUEXLY/arrhenius_rate Public

    Shell script that interfaces with LAMMPS to calculate the Vineyard prefactor of a rare event process

    Shell

  6. MUEXLY/chemical_potential MUEXLY/chemical_potential Public

    LAMMPS interface to compute and fit chemical potentials in a solid

    Python 1