Neeraj Kumar Email & Phone Number

As Chief Data Scientist at Pacific Northwest National Laboratory (PNNL), I lead a talented team of scientists and engineers in addressing critical challenges in artificial intelligence, energy, health, and biothreat sectors. With over 15 years of experience in quantitative research, data science, and math, I specialize in developing innovative solutions and managing multidisciplinary teams within matrix organizations focused on multimillion-dollar programs at the intersection of fundamental discovery and transformative AI-driven product development.My expertise spans Applied Math, High-Performance Computing, Software Engineering Computational Chemistry and Biology, Health Science, and Medical Therapeutics, enabling me to guide our team in exploring new frontiers. I have a deep understanding and application of Generative AI, Agentic workflow, AI Safety and Trustworthiness, Autonomous Science, Natural Language Processing, Modeling and Simulations, Quantum Mechanics, Data Integration, Causal Inference/Reasoning, and Reinforcement Learning. These competencies are crucial in developing scalable AI/ML models and computing infrastructures that accelerate scientific discoveries, enhance computer-aided design, and refine autonomous decision-making.As a leader, I am committed to empowering our scientists and engineers at PNNL by fostering a culture of innovation, collaboration, and continuous learning. Our goal is to solve complex challenges while making a significant, positive impact on our stakeholders and the broader community. I am passionate about driving forward our mission with dedication and an unwavering focus on excellence in both scientific endeavors and people management.

Listed skills include Chemistry, Computational Chemistry, Molecular Dynamics, Nmr, and 27 others.