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🔭 I’m currently working on machine learning-based transition state optimization. The animation shown above depicts one of the reactions I calculated the transition states for. For non-chemists, the problem here is to find a saddle point in a 42-dimensional space.
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👯 I’m looking to collaborate on a drug discovery-related project that uses machine learning-based potential to incorporate kinetic effects.
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👨💻 Most of my projects are available at https://github.com/kumaranu but some are not public due to proprietary issues.
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📫 You can reach out to me via kumaranu@lbl.gov.
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📄 Know about my experiences by checking out my resume.
