Overview
Personal Profile
Vivek Bharadwaj is a staff scientist in the Renewable Resources and Enabling Sciences Center at NLR.
He uses computational tools and models to enhance knowledge of the basic energy sciences and accelerate the development of novel biochemical and thermochemical technologies for the production of energy, fuels, and chemicals.
Vivek's computational modeling expertise spans across multiple length and time scales ranging from applying quantum mechanics and molecular dynamics at the atomic and molecular scale to using finite element methods at the particle scale to model various biological (e.g., proteins and biomass) and chemical (e.g., catalysts and eletrolytes) systems.
His 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.
Research Interests
Mechanisms of biomass biosynthesis in plants
Biophysics and biochemistry of plant cell wall pectins
Enzymatic mechanisms of biomass deconstruction and upgrading
Development of intrinsic kinetics and multiphysics models of complex catalytic systems
Electron transport in biological systems and energy storage materials
Professional Experience
Staff Scientist, Renewable Resources and Enabling Sciences Center, NLR (2018–present)
Postdoctoral Researcher, Biosciences Center, NLR (2015–2018)
Process Engineer, Hindustan Petroleum Corporation Limited (2008–2010)
Education/Academic Qualification
PhD, Chemical Engineering, Colorado School of Mines
Master, Chemical Engineering, Colorado School of Mines
Bachelor, Chemical Engineering, Sardar Vallabhbhai National Institute of Technology Surat
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Collaborations and Top Research Areas From the Past 5 Years
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Molecular Insights Into the Ionic Assembly of Poly-Galacturonic Acid Oligomers - Impact of Charge, Ionic Radius, and Polymer Functionalization: Article No. e70298
Bu, L., Crowley, M., Sharma, D., Urbanowicz, B. & Bharadwaj, V., 2026, In: Journal of Computational Chemistry. 47, 1, 9 p.Research output: Contribution to journal › Article › peer-review
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Decoding Substrate Specificity Determining Factors in Glycosyltransferase-B Enzymes - Insights from Machine Learning Models
Hennen, S., Bomble, Y., Urbanowicz, B. & Bharadwaj, V., 2025, In: Digital Discovery. 4, 8, p. 2214-2228 15 p.Research output: Contribution to journal › Article › peer-review
1 Scopus Citations -
Nature of Molybdenum Carbide Surfaces for Catalytic Hydrogen Dissociation Using Machine-Learned Potentials: An Ensemble-Averaged Perspective
Wilson, W., Lane, J., Saha, C., Severin, S., Bharadwaj, V. & Rai, N., 2025, In: Catalysis Science and Technology. 15, 5, p. 1492-1505 14 p.Research output: Contribution to journal › Article › peer-review
4 Scopus Citations -
Python Library for Monte Carlo Simulations with Ab Initio and Machine-Learned Interatomic Potentials
Wilson, W., Bharadwaj, V. & Rai, N., 2025, In: Journal of Chemical Theory and Computation. 21, 20, p. 10131-10141 11 p.Research output: Contribution to journal › Article › peer-review
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Atomistic, Macromolecular Model of the Populus Secondary Cell Wall Informed by Solid-State NMR: Article No. eadi7965
Addison, B., Bu, L., Bharadwaj, V., Crowley, M., Harmon-Ware, A., Crowley, M., Bomble, Y. & Ciesielski, P., 2024, In: Science Advances. 10, 1, 13 p.Research output: Contribution to journal › Article › peer-review
49 Scopus Citations
Activities
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American Chemical Society (External organization)
Ginley, D. (Member), Ware, L. (Member), Allen, B. (Fellow), Rumbles, G. (Member), Perkins, C. (Member), Johnson, D. (Member), Ferrell, J. (Member), Arellano Trevino, M. (Member), Neale, N. (Member), Bell, R. (Member), Klein, R. (Member), Aubry, T. (Member), Bharadwaj, V. (Member), Wieliczka, B. (Member), Hermosilla Palacios, A. (Member), Puente-Urbina, A. (Member), Maughan, A. (Member), Wiley, S. (Member), Kluherz, T. (Member), Kurtz, S. (Member), Schichtl, Z. (Member), Dong, Y. (Member), Thodika, M. (Member), Carvalho, Q. (Member), Truong, T. (Member), Clarke, R. (Member), Kiani, D. (Member), Lee, M. (Member), McGeehan, J. (Member), Brady, N. (Member), Yang, B. (Member), Nozik, A. (Member), Pennell, S. (Member), Wu, I. (Member), Lany, S. (Member) & Myers, A. (Member)
0001Activity: Membership › Membership of network
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American Institute of Chemical Engineers (AIChE) (External organization)
Klein, B. (Member), Dupuis, D. (Member), Johnson, D. (Member), Yadav, G. (Member), Ferrell, J. (Member), Jorgenson, J. (Member), Hassanaly, M. (Member), Pomeroy, M. (Member), Ruth, M. (Member), Guerra Fernandez, O. J. (Member), Hanes, R. (Member), Ghosh, T. (Member), Bharadwaj, V. (Member), Chen, Y. (Member), Ghoshal, D. (Member), Puente-Urbina, A. (Member), Young, A. (Member), Hill, A. (Member), Deshpande, A. (Member), Jeong-Potter, C. (Member), Chen, X. (Member), Khalifa, S. (Member), Carvalho, Q. (Member), Kiani, D. (Member), Appleby, B. (Member), Moon, H. (Member), Baker, M. (Member), Gamil, A. (Member) & Kocher, J. (Member)
0001Activity: Membership › Membership of network
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Center for Bioenergy Innovation (External organization)
Bharadwaj, V. (Member)
0001Activity: Membership › Membership of network
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Consortium for Computational Physics and Chemistry (External organization)
Bharadwaj, V. (Member)
0001Activity: Membership › Membership of network
Awards and Honors
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American Chemical Society Chemical Computing Group Research Excellence Award
Bharadwaj, V. (Recipient), 2015
Prize: Honorary award
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American Chemical Society NVIDIA Best GPU Poster Award
Bharadwaj, V. (Recipient), 2014
Prize: Honorary award