About

Dr. Mohan Mood is an Associate R&D Staff Scientist in the Biosciences Division at Oak Ridge National Laboratory (ORNL), where he works within the Center for Molecular Biophysics. His research focuses on the integration of computational chemistry, artificial intelligence, and high-performance computing to accelerate the discovery and design of sustainable materials, solvents, and chemical processes.

Prior to joining ORNL, Dr. Mood was a Postdoctoral Research Associate at Sandia National Laboratories, California, in the Department of Bioresource and Environmental Security, where he contributed to research programs aimed at advancing sustainable biomass conversion technologies and next-generation solvent systems. He received his Ph.D. in Chemical Engineering from the Indian Institute of Technology Guwahati (IIT Guwahati) in 2018, where his doctoral research focused on computational modeling of complex chemical systems and the development of predictive frameworks for molecular properties.

Dr. Mood’s research centers on the design and discovery of green and designer solvents, including ionic liquids, deep eutectic solvents, and bio-derived solvents, for applications in lignocellulosic biomass processing, plastic upcycling, carbon capture, and sustainable chemical manufacturing. His work leverages molecular simulations and first-principles computational methods, including molecular dynamics (MD), quantum chemical calculations, and COSMO-RS thermodynamic modeling, to understand and predict molecular interactions and solvent performance at the atomic scale. Dr. Mood develops data-driven predictive models for molecular and thermodynamic properties, enabling rapid screening of chemical systems relevant to biomass deconstruction, plastic depolymerization, CO2 capture, and solvent design. His current research also explores the use of large language models (LLMs) and natural language processing (NLP) for chemical data extraction, knowledge discovery, and AI-assisted materials design. Dr. Mood’s interdisciplinary work bridges computational chemistry, machine learning, and sustainable energy research, contributing to the development of technologies supporting a circular bioeconomy and sustainable manufacturing.

Education

  • Ph.D., Chemical Engineering, IIT Guwahati, Guwahati, Assam, India (2014–2018)
  • M.Tech, Chemical Engineering, IIT Guwahati, Guwahati, Assam, India (2012–2014)
  • B.Tech, Chemical Engineering, Osmania University, Hyderabad, Telangana, India (2008–2012)

Professional Experience

  • March 2026 - Present: Associate R&D Staff, Biosciences Division and Center for Molecular Biophysics, Oak Ridge National Laboratory, Oak Ridge, TN 37830, USA
  • Aug 2022 - Feb 2026: Postdoctoral Research Associate, Biosciences Division and Center for Molecular Biophysics, Oak Ridge National Laboratory, Oak Ridge, TN 37830, USA
  • Dec 2018 – Aug 2022: Postdoctoral Research Associate, Department of Bioresource and Environmental Security, Sandia National Laboratories, Livermore, CA 94551, USA