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Pradeep Pal

@pradeeppal1

Computational chemistry researcher blending quantum modeling, molecular dynamics, and machine learning to predict catalysts and molecular properties.

Thailand

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What I'm looking for

I’m looking for a research-focused role where I can combine quantum mechanical and molecular dynamics modeling with machine learning to understand and predict catalytic and molecular properties, contribute to publications, and grow through collaborative, computation-driven teams.

I’m a computational natural sciences Ph.D. candidate (2019–2025) focused on computational modeling of atmospheric chemistry, functional materials, and catalysis across multi-scale systems—from metallic clusters and metal complexes to surfaces, solvent-activated processes, and bioenzymes. My thesis, “Computational Study of Gold Nanoclusters, their Catalytic Activity and other Catalytic Processes,” reflects my drive to connect accurate simulation methods with chemical mechanisms.

In my research work, I combine quantum mechanical and molecular dynamics methods with machine learning for molecular property prediction and structure generation, using tools like CP2K, Gaussian, VASP, ORCA, NAMD, and GROMACS. I’m currently working as a Co-Research Assistant at NanoTec, NSTDA, and I actively present my results in conferences on topics like gold/copper nanocluster catalysis and DFT-based stability and reactivity studies.

Experience

Work history, roles, and key accomplishments

Current

Co-Research Assistant

Current

NanoTec, NSTDA

Jan 2026 - Present (5 months)

Supported computational natural sciences research using quantum mechanical and molecular dynamics methods, alongside machine learning for molecular property prediction and structure generation.

Python Fortran Quantum Chemistry (Gaussian ORCA Gaussian)Molecular Dynamics Molecular Modeling Catalysis And Nanoclusters

Research Intern

Harisingh Gour Vishwavidyalaya

Jul 2017 - Dec 2017 (5 months)

Worked on synthesis and doping of rare earth nanoparticles and analyzed morphological aspects of indium sulfide as part of a chemistry research project.

Rare Earth Nanoparticle Synthesis Rare Earth Doping Indium Sulfide (InS) Research Morphology Materials Characterization Scientific Data Analysis Research & Documentation