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alec-glisman/README.md

Hi there πŸ‘‹

I am a fifth-year chemical engineering Ph.D. candidate at Caltech in the Wang group. My research centers on studying how small-ions and local water structure affect the structure and dynamics of aqueous polyelectrolytes. I use multiscale simulation techniques to generate phase diagrams of polyelectrolytes in an aqueous bulk and at crystalline interfaces.

πŸ”— Links

πŸ“‘ Publications

Swimming in potential flow, JFM, 2022 DOI

Geometry and dynamics of lipid membranes: The Scriven-Love number, Physical Review E, 2020
DOI, arXiv

πŸ§ͺ Molecular simulation packages

  • GROMACS: Molecular dynamics
  • PLUMED: Enhanced sampling
  • ORCA: Quantum chemistry
  • AutoDock Vina: Molecular docking

πŸ’» Code development

Languages

  • Shell: Linux management and job scripting
  • C++/CUDA: Numerical simulation packages
  • CMake: Building and testing C++ projects
  • Python: Numerical data analysis and machine learning
  • LaTeX: Document typesetting
  • Wolfram Mathematica: Computer algebra/calculus system
  • FORTRAN: Legacy simulation package support
  • SQL: Database management

Environment portability

  • Docker: Containers with persistent bound volumes for data I/O
  • Slurm: Job scheduler for distributed and high-performance computing
  • Ansible: Software provisioning, configuration management, and application-deployment tool enabling infrastructure as code
  • Spack: Package manager for scientific software

Tools

  • Git: Version control
  • SSH: Remote development and server management
  • GitHub actions: CI platform.
  • Python
    • NumPy/Pandas/SciPy: Numerical linear algebra and data analysis
    • Scikit-learn/PyTorch: Machine learning
    • RDKit: Chemical informatics
    • Matplotlib: Plots and figures
  • C++
    • Catch2: Unit testing
    • Spdlog: Logging
    • Eigen3: Numerical linear algebra
    • Doxygen: Code documentation generator
  • Visual Studio Code: GUI text editor

Popular repositories Loading

  1. Analysis-Two-Chain-PAA Analysis-Two-Chain-PAA Public

    Analyze interactions between two fully-charged PAA chains with varying amounts of CaCl2 added

    Python 2

  2. Swimming-in-Potential-Flow Swimming-in-Potential-Flow Public

    Study dynamics of inertial active matter in a potential fluid (irrotational, incompressible).

    C++ 1

  3. Simulation-Two-Chain-PAA Simulation-Two-Chain-PAA Public

    Simulate interactions between two fully-charged PAA chains with varying amounts of CaCl2 added

    Shell 1

  4. alec-glisman alec-glisman Public

    GitHub profile public-facing information

  5. github-readme-stats github-readme-stats Public archive

    Forked from Hephaest/github-readme-stats

    ⚑ Dynamically generated stats for your github readmes

    JavaScript

  6. alec-glisman.github.io alec-glisman.github.io Public

    Forked from academicpages/academicpages.github.io

    My professional website

    HTML