Yudhajit Pal

About Yudhajit Pal

Research Scientist with 8+ years of experience bridging computational chemistry, machine learning, and biological applications. Key expertise includes: • Implementation of machine learning models for molecular property prediction • End-to-end ML pipeline development combining cheminformatics, quantum chemistry (DFT), and data analysis • Production deployment of models using AWS, Docker, and automated workflows for high-throughput virtual screening • Cross-functional collaboration with wet-lab teams to validate computational predictions and optimize experimental designNotable achievements: • Spearheaded the development of ML-powered enzyme discovery platform at Bayer, achieving 3x improvement in identification accuracy and expansion of search space • Developed hybrid physics-ML approaches for OLED materials discovery, delivering 200x acceleration in simulation speedTechnical proficiency: • ML/DL: PyTorch, TensorFlow, BERT, Graph Neural Networks, Transfer Learning • Chemistry: RDKit, Molecular Modeling, Quantum Chemistry, Virtual Screening • Cloud/DevOps: AWS, Docker, Git, High-Performance Computing • Programming: Python, SQL, Shell Scripting

Experience

1. Data Scientist

   dsm-firmenich

   Feb 2026 — Present · Princeton, NJ, US

   Part of the e-creation and recipe building team. Modeling performance and formula creation.

Education

• Indian Institute of Technology, Kanpur

  Bachelor of Technology - BTech , Chemical Engineering

  2009 — 2013

• University at Buffalo

  Doctor of Philosophy - PhD, Chemical Engineering

  2014 — 2020