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sbkashif/README.md
  • 👋 Hi, I’m Salman, a Research Staff Member at the University of Minnesota.
  • 🛠️ Coding focus: Developing scientific software and automated workflows around standard molecular simulation engines.
  • ⚗️ Physical systems: Discovering new materials for chemical separations by investigating nanoscale mechanisms, complemented by data-driven techniques.
  • 🤝 Collaboration: I specialize in reproducible simulation pipelines and literature on chemical separations and molecular simulations. I’m looking to partner with ML experts to build new physics-based ML models and analysis pipelines for molecular simulation data.
  • Philosophy: Applying pragmatic software rigor and automation to ensure reproducibility, while maintaining a focus on scientific questions and physical insights.
  • 📫 You can reach out to me at sbkashif38 [at] gmail [dot] com.

Pinned Loading

  1. gRASPA_job_tracker gRASPA_job_tracker Public

    Python 3 1

  2. zeoran zeoran Public

    Python

  3. vasp_init vasp_init Public

    toolbox to add ions and molecules from raspa output files to the vasp/poscar file

    Python 1

  4. MolSimWorkbench MolSimWorkbench Public

    C++