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shehan807/README.md

Shehan M. Parmar

  • 🔭 PhD Candidate in Computational Chemistry at Georgia Tech
  • 🌱 I develop (1) molecular dynamics force fields for ionic systems and (2) software for high-throughput materials discovery.
  • 📫 My personal website: https://shehan807.github.io/

🔬 Research TL;DRs

Ionic liquids (ILs) are room-temperature "molten salts" with promise as...

Electrosprays thrusters are tiny rockets that propel charged liquid using strong electric fields. I...

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  1. atomate2 atomate2 Public

    Forked from materialsproject/atomate2

    atomate2 is a library of computational materials science workflows

    Python 1

  2. mdtraj mdtraj Public

    Forked from mdtraj/mdtraj

    An open library for the analysis of molecular dynamics trajectories

    Python

  3. CrystaLattE CrystaLattE Public

    Forked from carlosborca/CrystaLattE

    Set of scripts to automate the calculation of crystal lattice energies.

    Python 1

  4. openff-PyMPFIT openff-PyMPFIT Public

    Forked from openforcefield/openff-recharge

    An automated framework for generating optimized partial charges for molecules

    Python 3

  5. overleaf-progress-tracker overleaf-progress-tracker Public

    Track your manuscript writing endeavors via the Overleaf+Github integration.

    Python 1

  6. U_pol U_pol Public

    Calculate polarization energy term for molecular dynamics potentials

    Python 1 1