alec-glisman Goto Github PK

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.

• Professional Website
• LinkedIn
• Zhen-Gang Wang Group Website
• Google Scholar
• arXiv
• ORCID

Swimming in potential flow, JFM, 2022 DOI

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

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

• 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

• 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

• 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