PNNL

Neil Henson is a senior scientist at Pacific Northwest National Laboratory (PNNL). Prior to joining the Laboratory in 2017, he spent 20 years at Los Alamos National Laboratory. Dr. Henson’s research interests are in the application of computational chemistry methods to problems in energy security, including homogeneous and heterogeneous catalysis, energy storage, actinide chemistry, and nuclear forensics. Recently, he has focused on understanding the complex chemical interactions and interconversions of iodine-containing molecules in real-world environments, such as after nuclear power reactor accidents as part of PNNL’s Chemical Dynamics Initiative and particularly the effect of radiochemical transmutation on chemical change for short-lived isotopes. Dr. Henson focuses on the use of simulation and modeling tools to provide chemical interpretations of experimental observables and the intersection of these techniques with data-driven methods. 

• Computational Chemistry
• Inorganic Chemistry
• Solid State Chemistry
• Materials Chemistry

• PhD Chemistry, University of Oxford, United Kingdom
• MA (Oxon) Chemistry, University of Oxford, United Kingdom
• BA (Oxon) Chemistry, University of Oxford, United Kingdom

• MRSC, Royal Society of Chemistry
• American Chemical Society

2025

• Dinpajooh M., G.L. Hightower, R.E. Overstreet, L.A. Metz, N.J. Henson, N. Govind, and A.M. Ritzmann, et al. 2025. "On the Stability Constants of Metal-Nitrate Complexes in Aqueous Solutions." Physical Chemistry Chemical Physics 37, no. 18:9350-9368. PNNL-SA-205148. doi:10.1039/D4CP04295F
• Li L., D. Garcia, T. Wang, J.D. Escobar, M. Pole, K. Nwe, and D.M. Brown, et al. 2025. "Meshfree simulation and prediction of recrystallized grain size in friction stir processed 316L stainless steel." Journal of Materials Processing Technology 337:118751. PNNL-SA-205212. doi:10.1016/j.jmatprotec.2025.118751

2024

• Cho H.M., and N.J. Henson. 2024. Analyze the Composition of Materials Through the Use of Characterization Instruments - CRADA 621 (Abstract). PNNL-35902. Richland, WA: Pacific Northwest National Laboratory. Analyze the Composition of Materials Through the Use of Characterization Instruments - CRADA 621 (Abstract)

2023

• Grubel K., W.S. Rosenthal, S. Autrey, N.J. Henson, K. Koh, S.E. Flowers, and T.A. Blake. 2023. "SN2 Solution Phase Kinetics for Iodoalkane-DABCO Reactions: An Experimental, Computational and Uncertainty Analysis Study." Physical Chemistry Chemical Physics 25, no. 9:6914-6926. PNNL-SA-179160. doi:10.1039/d2cp05286e
• Smith N.P., L.R. Hubbard, M.J. Lonsway, J.H. Wahl, and N.J. Henson. 2023. "Initial Dynamic Photoactive Materials Testing of an Atmospheric Chamber Intended for Radioactive and Hazardous Gases." MRS Advances 8. PNNL-SA-186294. doi:10.1557/s43580-023-00708-w

2021

• Autrey S., K. Grubel, W.S. Rosenthal, R.A. VanGundy, N.J. Henson, S.E. Flowers, and K. Koh, et al. 2021. Experimental Studies of the Dynamics of Adsorbed and Condensed Phase Iodine Species Formed in Severe Reactor Accidents: Final Project Report. PNNL-32032. Richland, WA: Pacific Northwest National Laboratory. Experimental Studies of the Dynamics of Adsorbed and Condensed Phase Iodine Species Formed in Severe Reactor Accidents: Final Project Report
• Boncella J.M., E.D. Reinhart, D.B. Culver, and N.J. Henson. 2021. The development of novel organomanganese hydration catalysts and uranium oxo-imido complexes to provide insights into redox chemistry and bonding properties. PNNL-31900. Richland, WA: Pacific Northwest National Laboratory. The development of novel organomanganese hydration catalysts and uranium oxo-imido complexes to provide insights into redox chemistry and bonding properties
• Ilton E.S., N.J. Henson, J. Matyas, and M. Sassi. 2021. Developing a Fundamental Knowledge Base for the Interaction of Ruthenium with Natural and Engineered Iron-Bearing Materials. PNNL-32111. Richland, WA: Pacific Northwest National Laboratory. Developing a Fundamental Knowledge Base for the Interaction of Ruthenium with Natural and Engineered Iron-Bearing Materials

2020

• Bilbrey J.A., C.M. Ortiz Marrero, M. Sassi, A.M. Ritzmann, N.J. Henson, and M. Schram. 2020. "Tracking the chemical evolution of iodine species using recurrent neural networks." ACS Omega 5, no. 9:4588-4594. PNNL-SA-148824. doi:10.1021/acsomega.9b04104
• Sassi M., A.M. Ritzmann, and N.J. Henson. 2020. "Consequences of 131I transmutation in gas phase radioiodine molecules and adsorbed on graphite surface." Journal of Physical Chemistry C 124, no. 39:21461-21466. PNNL-SA-153560. doi:10.1021/acs.jpcc.0c05928

2018

• Garrett K.E., A.M. Ritzmann, F.N. Smith, S.H. Kessler, R. Devanathan, N.J. Henson, and D.G. Abrecht. 2018. "First principles investigation of the structural and bonding properties of hydrated actinide (IV) oxalates, An(C2O4)2·6H2O (An = U, Pu)." Computational Materials Science 153. PNNL-SA-133111. doi:10.1016/j.commatsci.2018.06.033
• Garrett K.E., D.G. Abrecht, S.H. Kessler, N.J. Henson, R. Devanathan, J.M. Schwantes, and D.D. Reilly. 2018. "Carbon diffusion in molten uranium: an ab initio molecular dynamics study." Modelling and Simulation in Materials Science and Engineering 26, no. 3:Article No. 035013. PNNL-SA-129429. doi:10.1088/1361-651X/aaad72

2014

• Matanovic I., F. Garzon, and N.J. Henson. 2014. "Electro-Reduction of Nitrogen on Molybdenum Nitride: Structure, Energetics, and Vibrational Spectra from DFT." Physical Chemistry Chemical Physics. PCCP 16, no. 7:3014-3026. doi:10.1039/c3cp54559h
• Matanovic I., P. Atanassov, B. Kiefer, F. Garzon, and N.J. Henson. 2014. "Applicability of Density Functional Theory in Reproducing Accurate Vibrational Spectra of Surface Bound Species." Journal of Computational Chemistry 35, no. 26:1921-1929. doi:10.1002/jcc.23707

2013

• Matanovic I., P. Kent, F. Garzon, and N.J. Henson. 2013. "Density Functional Study of the Structure, Stability and Oxygen Reduction Activity of Ultrathin Platinum Nanowires." Journal of the Electrochemical Society 160, no. 6:F548-F553. doi:10.1149/2.047306jes

2012

• Matanovic I., P. Kent, F. Garzon, and N.J. Henson. 2012. "Density Functional Theory Study of Oxygen Reduction Activity on Ultrathin Platinum Nanotubes." Journal of Physical Chemistry C 116, no. 31:16499-16510. doi:10.1021/jp3035456
• Matanovic I., P. Kent, F. Garzon, and N.J. Henson. 2012. "Theoretical Study of the Structure, Stability and Oxygen Reduction Activity of Ultrathin Platinum Nanowires." ECS Transactions 50, no. 2:1385-1395. doi:10.1149/05002.1385ecst