Pankaj Rajak
Applied Scientist II at Amazon
San Diego, California, United States
Summary
👤
Senior🎓
Top SchoolPankaj Rajak is an Applied Scientist II with 11 years of experience specializing in reinforcement learning, generative models, and geometric neural networks for inverse design of materials with target physical properties. His work spans industry and national lab settings—building offline RL agents for autonomous material synthesis at Argonne and advancing graph neural network force fields and representation learning for molecular simulation. During a PhD at USC he scaled reactive molecular dynamics to billions of atoms, developed force fields via multi-objective optimization, and applied VAEs and normalizing flows to 3D point-clouds for materials discovery. At Amazon he bridges cutting-edge research with production ML, bringing a rare combination of deep physics-based simulation expertise and modern AI methods. He also holds an AI graduate certificate from Stanford and blends meta-learning insights (e.g., task-memorization issues in few-shot learning) into practical workflows for accelerated materials discovery.
11 years of coding experience
9 years of employment as a software developer
Phd, Computational Materials Science, Phd, Computational Materials Science at University of Southern CaliforniaDual Degree: B.tec(Hons)+M.tec, Metallurgical and Materials Engineering, Dual Degree: B.tec(Hons)+M.tec, Metallurgical and Materials Engineering at Indian Institute of Technology, KharagpurArtificial Intelligence Graduate Certificate, 4.3, Artificial Intelligence Graduate Certificate, 4.3 at Stanford University
English, Hindi, Bengali
Github Skills (12)
dynamics9
parallel-computing9
simulation9
molecular-dynamics-simulation7
reactive7
scaling7
parallel7
bayesian7
optimization5
machine-learning4
quantum-computing3
openmp2
Programming languages (2)
Github contributions (5)
rajak7/VAE_Phase_Transformation
Jul 2019 - Sep 2020
Contributions:21 commits, 20 pushes, 1 branch in 1 year 1 month
rajak7/rajak7.github.io
Dec 2020 - Feb 2021
Contributions:49 pushes, 1 branch in 2 months
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