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Ajin Rajan

Ajin Rajan

Ph.D. graduate from IIT Madras specializing in computational chemistry and catalyst design

Talent
ChennaiMember since July 20, 2026
MACEDensity Functional Theory (DFT)Molecular Dynamics (MD)Microkinetic ModelingMachine Learning Interatomic Potentials (MLIPs)
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MACEDensity Functional Theory (DFT)Molecular Dynamics (MD)Microkinetic ModelingMachine Learning Interatomic Potentials (MLIPs)

About

As a Ph.D. graduate from the Indian Institute of Technology (IIT) Madras, I conduct computational research utilizing Density Functional Theory (DFT), biased Molecular Dynamics (MD), Microkinetic Modeling, and Machine Learning Interatomic Potentials (MLIPs) to bridge theoretical chemistry with practical catalyst design. I am passionate about applying these cutting-edge computational approaches to solve challenges in reaction engineering and advanced materials development.

Education

Ph.D. in Chemical Engineering – Indian Institute of Technology- Madras (2019 – 2025)

M.Tech. in Chemical Engineering – National Institute of Technology-Raipur (2017 – 2019)

B.Tech. in Petrochemical Technology – University College of Engineering- Trichy (2013 – 2017)

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