kmnitesh05 Goto Github PK

• 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
• 📫 [email protected]

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