Murat Keçeli

Dr. Murat Keçeli

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Biography

Murat Keçeli is a computational scientist at Argonne National Laboratory, where his work focuses on the integration of quantum chemistry, high-performance computing, and artificial intelligence for chemical and materials discovery. He earned his Ph.D. in chemical physics from the University of Illinois Urbana-Champaign after studying chemistry and physics in Bilkent University, Türkiye. His research interests center on the use of quantum-mechanical methods and large-scale computing to understand, predict, and design complex molecular and materials systems. He is particularly interested in the development of AI-enabled and agentic scientific workflows that can automate simulations, improve scientific reasoning, and accelerate discovery. By combining first-principles modeling, HPC, and emerging AI methods, his work aims to advance reliable and scalable approaches for materials and molecular design.

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