B.S. in Geology at California State University Fullerton and Ph.D. from Yale University. Postdoctoral experience at the Carnegie Institution of Washington, Caltech and U.S. Navy (San Diego). Professor at Penn State 1998-2015.

• American Chemical Society Fellow - American Chemical Society (08/24/2021)
• Clay Minerals Society Pioneer in Clay Science Award - Clay Minerals Society (10/01/2020)
• U.S. DOE "Ten at Ten" Award in the Scientific Ideas - DOE (07/01/2019)
• Interdisciplinary Research Fellow - ORSP (03/01/2016)

• Ph D in Geology and Geophysics, Yale University (1989)

• A perspective on iron (Fe) in the atmosphere: air quality, climate, and the ocean ENVIRONMENTAL SCIENCE-PROCESSES & IMPACTS (2022), Hind A. Al-Abadleh, James Kubicki, Nicholas Meskhidze.
• Connecting Thermodynamics of Alkali Ion Exchange on the Quartz (101) Surface with Density Functional Theory Calculations JOURNAL OF PHYSICAL CHEMISTRY A 126 26 (2022), Heath D. Watts, James Kubicki, Nadine Kabengi.
• Ion and Particle Size Effects on the Surface Reactivity of Anatase Nanoparticle-Aqueous Electrolyte Interfaces: Experimental, Density Functional Theory, and Surface Complexation Modeling Studies MINERALS 12 7 (2022), Moira Ridley, Michael Machesky, James Kubicki.
• Microbial Denitrification: Active Site and Reaction Path Models Predict New Isotopic Fingerprints ACS EARTH AND SPACE CHEMISTRY 6 11 (2022), Jason D. Boettger, Cajetan Neubauer, Sebastian H. Kopf, James Kubicki.
• Molecular orbital study of Fe(II) and Fe(III) complexation with salicylate and citrate ligands: Implications for soil biogeochemistry SOIL SCIENCE SOCIETY OF AMERICA JOURNAL 86 2 (2022), Tsutomu Ohno, James Kubicki, Aria Amirbahman.
• Density Functional Theory Predictions of Non-covalent Hydrogen Isotope Effects During Octane Sorption to a Kaolinite Surface ACS Earth and Space Chemistry, (2021), James Kubicki.
• Density Functional Tight-Binding Simulations Reveal the Presence of Surface Defects on the Quartz (101)-Water Interface JOURNAL OF PHYSICAL CHEMISTRY C 125 29 (2021), Ke Yuan, Nikhil Rampal, Paul Fenter, James Kubicki, Andrew G. Stack, Stephan Irle.
• Molecular orbital study of Fe(II) and Fe(III) complexation with salicylate and citrate ligands: Implications for soil biogeochemistry SOIL SCIENCE SOCIETY OF AMERICA JOURNAL (2021), Tsutomu Ohno, James Kubicki, Aria Amirbahman.
• Equilibrium and Kinetic Isotopic Fractionation in the CO2 Hydration and Hydroxylation Reactions: Analysis of the Role of Hydrogen-bonding via Quantum Mechanical Calculations Geochimica et Cosmochimica Acta, Volume 292, p. 37-63. (2021), James Kubicki.
• Equilibrium and Kinetic Isotopic Fractionation in the CO2 Hydration and Hydroxylation Reactions: Analysis of the Role of Hydrogen-bonding via Quantum Mechanical Calculations Geochimica Cosmochimica Acta 292 (2021), Jason Boettger, James Kubicki.
• Strategic Minerals – Are They Hiding in Plain Sight? Abstract SY013-0001 presented at 2020 AGU Fall Meeting, 7-11 Dec. (2020), Nicholas E. Pingitore, Antonio Arribas, Mark Engle, Philip C. Goodell, James Kubicki.
• A density functional theory study on the shape of the primary cellulose microfibril in plants: Effects of C6 exocyclic group conformation and H-bonding. Cellulose, 1-14 (2020), James Kubicki.
• Adsorption of organic acids and phosphate to an iron (oxyhydr)oxide mineral: A combined experimental and density functional theory study. The Journal of Physical Chemistry A, 124, 3249-3260. (2020), James Kubicki.
• In silico structure prediction of full-length cotton cellulose synthase protein (GhCESA1) and its hierarchical complexes Cellulose, 27:5597–5616. (2020), James Kubicki.
• In situ and real-time ATR-FTIR temperature-dependent adsorption kinetics coupled with DFT calculations of dimethylarsinate and arsenate on hematite nanoparticles. Langmuir, 35, 4299-4307 (2020), James Kubicki.
• Integrating density functional theory modeling with experimental data to understand and predict sorption reactions: Exchange of salicylate for phosphate on goethite. Soil Systems, 4 (2), 27 (2020), James Kubicki.
• Adsorption Study of Al3+, Cr3+, and Mn2+ onto Quartz and Corundum using Flow Microcalorimetry, Quartz Crystal Microbalance, and Density Functional Theory ACS EARTH AND SPACE CHEMISTRY 3 3 (2019), Nicholas Allen, Chong Dai, Yandi Hu, James Kubicki, Nadine Kabengi.
• Arabinose substitution effect on xylan rigidity and self-aggregation CELLULOSE 26 4 (2019), Utsab R. Shrestha, Sydney Smith, Sai V. Pingali, Hui Yang, Mai Zahran, Lloyd Breunig, Liza A. Wilson, Margaret Kowali, James Kubicki, Daniel J. Cosgrove, Hugh M. O'Neill, Loukas Petridis.
• Cyclodextrin-enhanced 1,4-dioxane treatment kinetics with TCE and 1,1,1-TCA using aqueous ozone Chemosphere 219 (2019), Naima A. Khan, Michael D. Johnson, James Kubicki, F O. Holguin, Barry Dungan, Kenneth C. Carroll.
• Evaluating Computational Chemistry Methods for Isotopic Fractionation between CO2(g) and H2O(g) JOURNAL OF CHEMICAL INFORMATION AND MODELING 59 11 (2019), Jason D. Boettger, James Kubicki.
• Gibbsite (100) and Kaolinite (100) Sorption of Cadmium(II): A Density Functional Theory and XANES Study of Structures and Energies JOURNAL OF PHYSICAL CHEMISTRY A 123 29 (2019), Heath D. Watts, Peggy A. O'Day, James Kubicki.
• Probing cellulose structures with vibrational spectroscopy CELLULOSE 26 1 (2019), Mohamadamin Makarem, Christopher M. Lee, Kabindra Kafle, Shixin Huang, Inseok Chae, Hui Yang, James Kubicki, Seong H. Kim.
• Quantum Mechanical Modeling of the Vibrational Spectra of Minerals with a Focus on Clays MINERALS 9 3 (2019), James Kubicki, Heath D. Watts.
• Simulations of Cellulose Synthesis Initiation and Termination in Bacteria JOURNAL OF PHYSICAL CHEMISTRY B 123 17 (2019), Hui Yang, John McManus, Daniel Oehme, Abhishek Singh, Yaroslava G. Yingling, Ming Tien, James Kubicki.
• Simultaneous Adsorption and Incorporation of Sr2+ at the Barite (001)-Water Interface JOURNAL OF PHYSICAL CHEMISTRY C 123 2 (2019), Jacquelyn N. Bracco, Sang S. Lee, Joanne E. Stubbs, Peter J. Eng, Sarah Jindra, D. M. Warren, Anitha Kommu, Paul Fenter, James Kubicki, Andrew G. Stack.
• An evaluation of the structures of cellulose generated by the CHARMM force field: comparisons to in planta cellulose CELLULOSE 25 7 (2018), Daniel P. Oehme, Hui Yang, James Kubicki.
• Binding Geometries of Silicate Species on Ferrihydrite Surfaces ACS EARTH AND SPACE CHEMISTRY 2 2 (2018), Xiaoming Wang, James Kubicki, Jean-Francois Boily, Glenn A. Waychunas, Yongfeng Hu, Xionghan Feng, Mengqiang Zhu.
• Density functional theory modeling of chromate adsorption onto ferrihydrite nanoparticles GEOCHEMICAL TRANSACTIONS 19 (2018), James Kubicki, Nadine Kabengi, Maria Chrysochoou, Nefeli Bompoti.
• Initiation, Elongation, and Termination of Bacterial Cellulose Synthesis ACS OMEGA 3 3 (2018), John B. McManus, Hui Yang, Liza Wilson, James Kubicki, Ming Tien.
• Kinetic analysis of cellulose synthase of Gluconacetobacter hansenii in whole cells and in purified form ENZYME AND MICROBIAL TECHNOLOGY 119 (2018), John B. McManus, Liza Wilson, Hui Yang, James Kubicki, Ming Tien.
• Quantum calculations on plant cell wall component interactions Interdisciplinary Sciences: Computational Life Sciences (2018), Hui Yang, Heath D. Watts, Loukas Petridis, Daniel J. Cosgrove, James Kubicki.
• Reaction Mechanisms and Solid-Gas Phase Reactions: Theory and Density Functional Theory Simulations (in press), James Kubicki, Heath D. Watts.
• Structural factors affecting C-13 NMR chemical shifts of cellulose: a computational study CELLULOSE 25 1 (2018), Hui Yang, Tuo Wang, Daniel Oehme, Loukas Petridis, Mei Hong, James Kubicki.
• Structure and reactivity of oxalate surface complexes on lepidocrocite derived from infrared spectroscopy, DFT-calculations, adsorption, dissolution and photochemical experiments GEOCHIMICA ET COSMOCHIMICA ACTA 226 (2018), Susan C. Borowski, Jagannath Biswakarma, Kyounglim Kang, Schenkeveld, Walter D. C., Janet G. Hering, James Kubicki, Stephan M. Kraemer, Stephan J. Hug.
• The Shape of Native Plant Cellulose Microfibrils SCIENTIFIC REPORTS 8 (2018), James Kubicki, Hui Yang, Daisuke Sawada, Hugh O'Neill, Daniel Oehme, Daniel Cosgrove.

• Molecular Modeling from the Mantle to Mars (2022), Volume Houghton, MI, James Kubicki.
• Density Functional Theory Simulations of Ferrihydrite Nanoparticle Aggregation Via Organic Surface Complexation (2022), Volume Baltimore, MD, James Kubicki.
• Density functional theory simulations of ferrihydrite nanoparticle aggregation via organic surface complexation (2022), Volume Chicago, IL, James Kubicki.
• inking Density Functional Theory Calculations with EXAFS and ATR-FTIR to Model Adsorption Mechanisms in Soils (2021), Volume Salt Lake City, UT, James Kubicki.
• Adapting Geologic Sciences to the 21st Century (2021), James Kubicki.
• Density functional theory modeling of nanoparticles (2021), Volume Atlanta, GA, James Kubicki.
• Organic-mineral interactions at the molecular level: Impacts and research needs (2021), Volume Atlanta, GA, James Kubicki.
• Honoring R. James “Jim” Kirkpatrick: Computation of NMR chemical shifts for water-aluminosilicate interactions (2021), Volume Atlanta, GA, James Kubicki.
• Water – Atom by Atom (2021), James Kubicki.
• Oxyanion adsorption structures, thermodynamics and kinetics: Review of density functional theory results in comparison to experimental observations (2021), James Kubicki.
• Complex Interfaces and their Roles in Society (2021), James Kubicki.
• Macroscopic and molecular understanding of Np(V) sorption on the birnessite-water interface (2021), James Kubicki.
• Density functional theory modeling of Ba2+ and SO42- adsorption onto the quartz (101) surface (2021), James Kubicki.
• Molecular Processes at Mineral-Water Interface (2021), James Kubicki.
• Vision and Change: Implementing Curricular Reform (2021), Volume https://www.americangeosciences.org/tags/heads-and-chairs, James Kubicki.
• Strategic minerals - are they hiding in plain sight? (2020), Volume virtual meeting, Nicholas E. Pingitore, Antonio Arribas, Mark Engle, Philip C. Goodell, James Kubicki.
• Linking Density Functional Theory Calculations with EXAFS and ATR-FTIR to Model Adsorption Mechanisms in Soils (2020), James Kubicki.
• Quantum Mechanical Modeling of Mineral-Water Interfaces with Surface Defects (2020), Volume Pittsburgh PA, James Kubicki.
• Organic-Mineral Interactions at the Molecular Level: Impacts and Research Needs (2020), Volume Richland WA, James Kubicki.
• Molecular Modeling inEnvironmental Geochemistry (2020), Volume UT San Antonio, James Kubicki.
• The Role of Universities in Training Students for the Critical Materials Workforce (2020), Volume San Francisco, CA, James Kubicki.
• Molecular Modeling in Petroleum Geochemistry (2020), James Kubicki.
• Modeling competitive adsorption of phosphate and salicylate on the goethite (210) surface (2018), Volume Washington, DC, James Kubicki, Lin Ma.
• MODELING COMPETITIVE ADSORPTION OF PHOSPHATE AND SALICYLATE ON THE GOETHITE (210) SURFACE (2018), Volume Indianapolis, IN, James Kubicki, Jiye Guo, Lin Ma, T Ohno, P Hatcher.
• Chemistry Molecular Modeling in Environmental Chemistry (2018), Volume Socorro, NM, James Kubicki.
• Modeling competitive adsorption of phosphate and salicylate on the goethite (210) surface (2018), Volume Boston, MA, James Kubicki.
• Simulation of Sr(II) Adsorption and Exchange with Barite (BaSO4) (2018), Volume Boston, MA, James Kubicki.
• Density Functional Theory Calculations on Anorthite-SO2-H2O (2018), Volume Boston, MA, James Kubicki.
• Density Functional Theory Calculations on Anorthite-SO2-H2O (2018), Volume Boston, MA, James Kubicki.
• Interfaces in Plant Cell Walls (2018), Volume Telluride, CO, James Kubicki.
• Molecular Modeling in Environmental Geochemistry (2018), Volume Neward, DE, James Kubicki.
• Quantum Mechanical Modeling of Mineral-Water Interfaces with Surface Defects (2018), Volume Paris, France, James Kubicki.
• Calorimetry, spectroscopy and density functional theory: Oxyanions and ferrihydrite (2018), Volume New Orelans, James Kubicki.
• Quantum calculations modeling As and U adsorption (2018), Volume New Orleans, LA, James Kubicki.
• A decade modeling the mineral-water interface: Is there an electrical double layer? (2018), Volume New Orleans, LA, James Kubicki.

• The Origins of Molecules in Diverse Space and Planetary Environments and Their Intramolecular Isotope Signatures
• Biogeochemistry of Phosphate and Carbon Interactions in Agroecosystems: Coupling Experimental Data with Density Functional Theory
• Center for Lignocellulose Structure and Formation