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Photo of Vivek S. Bharadwaj

Vivek Bharadwaj

Scientist III - Computational Molecular Science | 303-275-3279
Orcid ID

Research Interests

  • Vivek's interests broadly span across protein structure and dynamics, reaction mechanisms, and molecular level ordering.

  • Vivek's doctoral research focused on using molecular modeling approaches to understand the biological instability of hydrocarbon fuels, improving cellulose feedstock utilization with ionic liquids, and understanding molecular ordering in biodiesels and enabling the widespread application of biofuels.

  • At NREL, Vivek's research focuses on providing insight into biochemical mechanisms and enabling the rational engineering of processes that are crucial for the enzymatic deconstruction of cellulosic material, bio-production of hydrocarbons, and hemicellulose synthesis.

Areas of Expertise

  • Molecular dynamics and enhanced sampling methods

  • Quantum mechanics/Molecular mechanics

  • Reaction energetics and kinetics from first principles

  • Protein structure prediction and docking


  • PhD., Chemical Engineering, Colorado School of Mines, 2015

  • M.S., Chemical Engineering, Colorado School of Mines, 2015

  • B. Tech., Chemical Engineering, Sardar Vallabhbhai National Institute of Technology, Surat, India, 2008

Professional Experience

  • Post-Doctoral Researcher, National Bioenergy Center, National Renewable Energy Laboratory, 2015present

  • Process Engineer — Emissions Management, Hindustan Petroleum Corporation Limited, Vizag, India, 20082010

Featured Publications

  1. "Unravelling the impact of hydrocarbon structure on the fumarate addition mechanism — a gas-phase ab initio study," Physical Chemistry Chemical Physics (2015)

  2. "Elucidating the conformational energetics of glucose and cellobiose in ionic liquids," Physical Chemistry Chemical Physics (2015)

  3. "The impact of active site protonation on substrate ring conformation in Melanocarpus albomyces Cellobiohydrolase Cel7B," Physical Chemistry Chemical Physics (2015)

  4. "Molecular Simulations of Fatty-Acid Methyl Esters and Representative Biodiesel Mixtures," ChemPhysChem (2015)

  5. "Insights into the Glycyl Radical Enzyme active site of Benzylsuccinate Synthase: A Computational Study," Journal of the American Chemical Society (2013)