
Foundational skills in computational tools and Python-based data analysis.I bring a combined approach of synthesis and in-silico modeling to design, optimize, and predict chemical behavior more efficiently. My strong analytical thinking, problem-solving ability, and interest in AI-driven chemical research enable me to contribute to modern, data-driven drug discovery and materials design workflows.Possess a strong foundation in organic synthesis, ligand design, and green catalysis, with demonstrated expertise in developing Sugar-NHC ligands, fluorescent probes, and metal complexes for sustainable catalytic and sensing applications. Proficient in multi-step organic synthesis, purification techniques (CombiFlash, manual column chromatography), and advanced analytical instrumentation including NMR, LC-MS, GC-MS, HPLC, and IR.
Performed computational chemistry studies using Density Functional Theory (DFT) and Hartree–Fock methods. Utilized ORCA and Gaussian software for molecular modeling and simulations. Optimized molecular geometries and analyzed electronic structure properties such as energy, molecular orbitals, and charge distribution. Applied theoretical concepts including basis sets and variational methods. Interpreted results to understand molecular behavior and support theoretical predictions.
I was a rank holder in my M.Sc. program and have qualified JAM, demonstrating strong academic excellence and a solid foundation in chemistry.
Dr. Senthil Kumar
Principle scientist
National Chemical laboratory.
email: senthilkumar@ncl.res.in
Dr. R. Jayaraj
Principal scientist
Kerala forest research institute.
email: jayaraj@kfri.res.in