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Coding
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KMNitesh05/README.md
  • Hi, I’m Nitesh Kumar (@KMNitesh05), Postdoctoral Research Associate, Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee.
  • I’m interested in Computational Chemistry and Topological Data Analysis
  • 📫 niteshgoesactive@gmail.com

I am interested in the intersection of machine learning, interfacial chemistry, supramolecular chemistry, and data science. My first research focus was the molecular simulation of biopolymers(protein-water interactions), working at UDelhi. Since then, I have been working on understanding chemical transport and organization at liquid/liquid interfaces and developing tools for chemical data analysis. My research involves classical molecular dynamics simulations, ab-initio molecular dynamics simulations, and state-of-the-art topological network analysis using graph theory. In the future, I am interested in translating my knowledge and skills into soft-matter chemistry and energy applications. I believe there should be no discrimination based on race, culture, color, gender, religion, or any other characteristic. Everyone deserves to be treated with respect and dignity. I believe in shared knowledge and shared opportunities for everyone, fostering an inclusive environment where everyone can thrive and contribute to the collective progress.

https://tinyurl.com/e7ueyfh4

Check out the sub-level set persistent homology codes I wrote for the analysis of adsorption-surfaces

https://gitlab.com/aurora-clark-public/adsorbate-ph

Pinned Loading

  1. ChemNetworks ChemNetworks Public

    Forked from tzhouwsu/ChemNetworks

    This version is in active development

    C++

  2. GROMACS_tutorial GROMACS_tutorial Public

    Jupyter Notebook 38 2

  3. persistent_homology_image_analysis persistent_homology_image_analysis Public

    Jupyter Notebook 1 1

  4. PointNet_Reg PointNet_Reg Public

    Jupyter Notebook 1

  5. Surface_fluctuations Surface_fluctuations Public

    Python 1

  6. CP2K_to_DEEPMDKIT CP2K_to_DEEPMDKIT Public

    Python