Larry A. Curtiss

Professional Experience

• 2006-present: Argonne Distinguished Fellow
• 2006-present Acting Group Leader, Center for Nanoscale Materials, Argonne National Laboratory
• 1998-present: Group Leader, Materials Science and Chemistry Divisions, Argonne National Laboratory
• 1988-present: Senior Scientist, Argonne National Laboratory
• 1984-1988 Scientist, Argonne National Laboratory
• 1977-1984 Assistant Scientist, Argonne National Laboratory
• 1976-1977 Research Associate, Argonne National Laboratory
• 1973-1976 Battelle Fellow, Battelle Memorial Institute

Education

• Ph.D., Physical Chemistry, Carnegie-Mellon University, 1973
• M.S., Physical Chemistry, Carnegie-Mellon University, 1971
• B.S., Chemistry, University of Wisconsin, 1969

Selected Honors

• University of Chicago Distinguished Performance Award, 1995
• Fellow of the American Association for the Advancement of Science, 1997
• Institute for Scientific Information (ISI) Highly Cited Scientist 1981- 1999.
• Senior Fellow, University of Chicago/Argonne Computational Institute

Selected Professional Activities

• Organizer, Symposium in Honor of John Pople, Great Lakes Regional Meeting, June 2, 2003.
• Organizer, Workshop on Structure, Dynamics, and Charge Transport in Polymeric Materials, Argonne National Laboratory, June, 2000
• Organizer, Symposium on "Modern Electronic Structure Theory, Celebrating the 1998 Nobel Prize in Chemistry," 218 th ACS meeting, New Orleans, 1999
• Editorial Board, Journal of Computational and Theoretical Nanoscience
• Member Executive Committee, Institute of Catalysis for Energy Processes (ICEP), Northwestern University
• Review Panel, Sandia National Laboratory Materials Science Program, 2000
• Review Panel, Pacific Northwest National Laboratory Materials Science Program, 1996

Research Interests

Computational chemistry including development of new quantum chemical methods and applications to problems in materials science and chemistry. Basic research in the areas of computational thermochemistry, electron transfer processes, hydrogen-bonded complexes; nanocrystalline materials, reactions in nanoporous materials, ionic conductivity in polymer electrolytes.

Recent Publications (from more than 290)

• Theoretical Studies of CN and C 2 Addition to a (100)-(2x1) Diamond Surface: Nanocrystalline Diamond Growth Mechanisms M. Sternberg, D. A. Horner, P. C. Redfern, P. Zapol, L. A. Curtiss, Journal of Computational and Theoretical Nanoscience 2 1-7 (2005).
• Mesoporous Catalytic Membranes: Synthetic Control Of Pore Size And Wall Composition, M. J. Pellin, P. C. Stair, G. Xiong, J. W. Elam, J. Birrell, L. Curtiss, S. M. George, C. Y. Han, L. Iton, H. Kung, M. Kung, H. H. Wang, Catalysis Letters, 102 127 (2005).
• Mechanisms of Lithium Ion Transport in Amorphous Polyethylene Oxide, Y. Duan, J. W. Halley, L. Curtiss, P. Redfern, Journal of Chemical Physics, 122 54702 (2005)
• Density functional study of the TiO 2 -dopamine complex, M. Vega-Arroyo, P. R. LeBreton, T. Rajh, P. Zapol, L. Curtiss Chemical Physics Letters 406 306-311 (2005).
• G2, G3, and Associated Quantum Chemical Models for Accurate Theoretical Thermochemistry K. Raghavachari and L. A. Curtiss in Theory and Applications of Computational Chemistry: The First 40 Years, Ed. By C. Dykstra, G. Frenking, K. Kim, G. Scusceria (Elsevier, 2005).
• Assessment of Gaussian-3 and Density Functional Theories on the G3/05 Test Set of Experimental Energies, L. A. Curtiss, P. C. Redfern, K. Raghavachari, Journal of Chemical Physics, 123 124107 (2005).
• Quantum Chemical Study of Mechanisms for Oxidative Dehydrogenation of Propane on Vanadium Oxide, P. C. Redfern, P. Zapol, M. Sternberg, S. P. Adiga, S. A. Zygmunt, and L. A. Curtiss, Journal of Physical Chemistry, B 110 8363 (2006).
• Carbon Ad-dimer defects in carbon nanotubes, M. Sternberg, L. A. Curtiss, D. M. Gruen, G. Kedziora, D. A. Horner, P. C. Redfern, and P. Zapol,  Physical Review Letters 96, 075506 (2006).
• Organic Molecule Adsorption on TiO 2 Nanoparticles: A Review of Computational Studies of Surface Interaction, P. Zapol and L. Curtiss, Journal of Computational and Theoretical Nanoscience, 4, 222 (2007).
• Gaussian-4 Theory, L. A. Curtiss, P. C. Redfern, and K. Raghavachari, Journal of Chemical Physics, 126, 084108 (2007).