RESUME Carroll K. Johnson, Ph.D. October, 1996 Citizenship: Born 9/18/1929, Greeley Colorado, USA Residence: 344 East Drive, Oak Ridge, TN 37830 Home Phone: (865) 483-3259 ORNL Phone: (865) 574-4975 ORNL Fax: (865) 576-5235 ORNL e-mail:ckj@ornl.gov ORNL WWWeb: http://www.ornl.gov/ortep/topology.html Education and Employment 1947-48, University of Colorado, Premedical 1948-52, US Marine Corps, TSgt, Electronics Technecian 1952-55, B.S. Colorado State Univ., Animal Nutrition and Physiology 1955-59, Ph.D. Mass. Inst. of Tech., Biophysics and Physics 1959-62, Post Doc., Inst. for Cancer Res., Phil. PA, Crystallography 1962-96, Oak Ridge National Lab., Chem. Div., Oak Ridge, TN Oct. 96, Retired from ORNL Professional Activities 1965-67, Crystallographic Computing Committee, ACA 1970-76, Committee on Chemical Crystallography, NAS-NRC 1975-76, Sabbatical, Stanford University, Artificial Intelligence 1977-78, President, American Crystallographic Association (ACA) 1976-78, Executive Council, ACA 1977-78, Advisory Committee, Chem. Dept, Livermore National Lab. 1978-81, Policy Board, National Resource for Computation in Chem. 1981, Sabbatical, Naval Research Lab., Artificial Intelligence 1983-85, Advisory Committee, NIH Prophet Computer Project 1984-85, Advisory Committee, Bureau of Engraving and Printing 1985-91, Project Manager, ORNL/BEP Engineering Projects 1994-96, Chairman, ACA General Interest Group Research in Crystallograpic and Chemical Computing Crystallographic graphics (ORTEP) Segmented body thermal-motion analysis Higher-cumulant thermal-motion refinement Density map critical-point analysis Analytical least-squares matrix approximation Unimolecular rearrangement group theory Chemical reaction and structure activity modeling Orbifold topological descriptions of crystallogaphic groups Critical net topological descriptions of crystal structures Research in Neutron and X-Ray Diffraction Crystallography Biopolymer structures and diffraction theory (Ph.D. thesis) Crystal structures of various organic and inorganic compounds Organic conductors, H-isotope partitioning in hydrogen bonds Absolute configuration of enzymatically deuterated compounds Thermal-motion and modulated-structure theory and analysis Superconductor structural research via neutron diffraction Research in Artificial Intelligence and Computer Controlled Systems Protein density-map interpretation (with Stanford and UCSD) Emergency countermeasures for chemical spills Interpretation of NMR-MS-IR chemical spectroscopy results Electronic troubleshooting (with Navy AI Center) Chemical demiliterization reaction modeling (Army sponsored) Structure activity modeling (Army sponsored) Printing Ink formulation (Bureau of Engraving and Printing [BEP]) Perception of printing flaws (BEP sponsored) Automated neutron diffraction, 4-circle diffractometer upgrade Research in Machine Vision and Engineering Project Management Engineering prototype of web currency inspection system Contract management for web currency inspection system Web stamp inspection system design and fabrication Conceptual design and specification for web currency finishing system Automated video microscopy for bacteria identification ---------------------------------------------------------------------- A. JOURNAL, BOOK AND REPORT PUBLICATIONS for C. K. Johnson A.1 Structural Crystallography Publications _______, "X-Ray Diffraction Studies of Polypeptide Packing", Ph.D. Thesis, Department of Biology, Massachusetts Institute of Technology (September, 1959). _______, A. L. Patterson, D. van der Helm, and J. R. Minkin, "The Absolute Configuration of Naturally Occurring Isocitric Acid," J. Am. Chem. Soc. 84, 309 (1962). _______, "X-Ray Crystal Analysis of the Substrates of Aconitase. V. Magnesium Citrate Decahydrate," Acta Cryst. 18, 1004 (1965). _______, J. P. Glusker, D. van der Helm, W. E. Love, M. L.Dornberg, J. A. Minkin, and A. L. Patterson, "X-Ray Crystal Analysis of the Substrates of Aconitase. VI. The Structures of Sodium and Lithium Dihydrogen Citrates," Acta Cryst. 19, 561 (1965). _______, E. J. Gabe, M. R. Taylor, and I. A. Rose, "Determination by Neutron and X-Ray Diffraction of the Absolute Configuration of an Enzymatically Formed .-Monodeuteroglycolate," J. Am. Chem. Soc. 87, 1802 (1965). P. A. Agron, _______, and H. A. Levy, "Xenon Hexafluoride. Crystallographic Data and Phase Transitions," Inorg. Nucl. Chem. Lett. 1, 145 (1965). _______, D. van der Helm, J. P. Glusker, J. A. Minkin, N. E. Buron, and A. L. Patterson, "X-Ray Crystal Analysis of the Substrates of Aconitase. VIII. The Structure and Absolute Configuration of Potassium Dihydrogen Isocitrate Isolated from Bryophyllum Calycinum," Acta Cryst. B24, 578 (1968). R. D. Ellison, _______, and H. A. Levy, "Glycolic Acid. Direct Neutron Diffraction Determination of Crystal Structure and Thermal Motion Analysis," Acta Cryst. B27, 333 (1971). _______, "Critical Evaluation of Protein Crystallographic Results," Proc., ACS Mtg., on Critical Evaluation of Chemical and Physical Structural Information, Dartmouth College, June 24-29, 1974, eds. D. R. Lide and M. A. Paul, Nat'l Acad. Sci., Washington, DC (1974) pp. 242-247. _______, "Crystallographic Analysis of Superstructure Modulation in the Organic Conductor (TTF)7I5," Proc., Int. Conf. on Low Lying Lattice Vibrational Modes and Their Relationship to Superconductivity and Ferroelectricity, San Juan, Puerto Rico, Dec. 1-3, 1975. _______ and C. R. Watson, "Superstructure and Modulation Wave Analysis for the Unidimensional Conductor Hepta(tetrathiafulvalene) Pentaiodide," J. Chem. Phys. 64, 2271 (1976). G. C. Lisensky, _______, and H. A. Levy, "A Neutron Diffraction Study of the 1:1 Molecular Complex of 7,7,8,8-Tetracyanoquinodimethane with p- Terphenyl," Acta Cryst. B32, 2188 (1976). P. Rafferty, B. M. Benjamin, V. F. Raaen, W. E. Thiessen, and _______, "Crystal Structure of 2,6-di-tert-butyl-5,6-epoxy-2,4-dihydroxy-4-methyl-1,3- cyclohexanedione, An Oxidation Product of 2,6-di-tert-butyl-4-methylphenol (BHT)," Acta Cryst. B35, 2067 (1979). R. C. Teitelbaum, T. J. Marks, and _______, "Crystal Structure and Properties of Tetrathiafulvalenium Triiodide," J. Am. Chem. Soc. 102, 2986 (1980). A.2 Crystallographic Graphics Publications (ORTEP) _______, "OR TEP: A FORTRAN Thermal Ellipsoid Plot Program for Crystal Structure Illustrations," ORNL-3794 (June 1965). _______, "OR TEP: A FORTRAN Thermal-Ellipsoid Plot Program for Crystal Structure Illustrations. 2nd Revision," ORNL-3794 (Rev) (June 1970). _______, "Drawing Crystal Structures by Computer," Proc., Int. Summer School on Crystallographic Computing, Carleton University, Ottawa, Canada, Aug. 1969, and Munksgaard, Copenhagen, Denmark, 1970, Crystallographic Computing, ed. F. R. Ahmed (1970) pp. 227-230. _______, "OR TEP: A FORTRAN Thermal-Ellipsoid Plot Program for Crystal Structure Illustrations. 3rd Revision," ORNL-5138 (Mar. 1976). M.N. Burnett and _______, "OR TEP-III: A Thermal Ellipsoid Plot Program for Crystal Structure Illustrations," ORNL-6895 (July 1996). A.3 Thermal Motion Analysis Publications _______, "Information on Molecular Motion Derived from Anisotropic Temperature Factor Coefficients," in Molecular Dynamics and Structure of Solids, eds. R. S. Carter and J. J. Rust, Nat'l Bureau of Standards Special Publication 301 (1969) pp. 381-384. _______, "Addition of Higher Cumulants to the Crystallographic Structure- Factor Equations. A Generalized Treatment for Thermal-Motion Effects," Acta Cryst. A25, 187 (1969). _______, "An Introduction to Thermal Motion Analysis," Proc., Int. Summer School on Crystallographic Computing, Carleton University, Ottawa, Canada, Aug. 1969, and Munksgaard, Copenhagen, Denmark, 1970, Crystallographic Computing, ed. F.R. Ahmed (1970) pp. 207-219. ________ "Generalized Treatments for Thermal Motion," Proc., Int. Summer School on the Accurate Determination of Neutron Intensities and Structure Factors, Harwell, England, July 1-5, 1968, Thermal Neutron Diffraction, Spottiswood, Ballantyne, London (1970) pp. 132-136. ______, "The Effect of Thermal Motion on Interatomic Distances and Angles," Proc., Int. Summer School on Crystallographic Computing, Carleton University, Ottawa, Canada, Aug. 1969, and Munksgaard, Copenhagen, Denmark, 1970, Crystallographic Computing, ed. F. R. Ahmed (1970) pp. 220-226. _______, "New Computational Techniques, Particularly for Refinement," Proc., Symp. on Computational Needs and Resources in Crystallography, Albuquerque, NM, Apr. 8, 1972, Nat'l Acad. Sci., Washington, DC (1972) pp. 48-57. _______, "Thermal Motion Analysis," Proc., Int. Winter School on Crystallographic Computing, Bangalore, India, Jan. 4-14, 1980, Computing in Crystallography, eds. R. Diamond, S. Ramaseshan, and K. Venkatesan, Indian Acad. Sci., Bangalore, India (1980) pp. 14.01-14.20. _______ and H. A. Levy, "Thermal-Motion Analysis Using Bragg Diffraction Data," in International Tables for X-Ray Crystallography, eds. J. A. Ibers and W. C. Hamilton, Kynoch Press, Birmingham (1974) Vol. 4, pp. 311-336. A.4 Combinatorial Chemistry Publications C. J. Collins and _______, "A Computer-Assisted Analysis of the Camphor- 14C Sulfuric Acid Reaction. Is 3,2-endo-hydroxyl Shift Necessary?" J. Am. Chem. Soc. 95, 4766 (1973). C. J. Collins, _______, and V. F. Raaen, "Molecular Rearrangements. XXX. Applications of an Algebraic-Graphical Model for Analyzing Rearrangements of Bicyclo[2,2,1]heptyl Cations," J. Am. Chem. Soc. 96, 2524 (1974). _______ and C. J. Collins, "An Algebraic Model for the Rearrangements of 2-bicyclo[2,2,1]heptyl Cations," J. Am. Chem. Soc. 96, 2514 (1974). 1975 A.5 Artificial Intelligence Publications E. A. Feigenbaum, R. S. Englemore, and _______, "A Correlation Between Crystallographic Computing and Artificial Intelligence Research," Acta Cryst. A33, 13 (1977). ______, "Programming Methodology of Artificial Intelligence," Proc., Int. Winter School on Crystallographic Computing, Bangalore, India, Jan. 4-14, 1980, Computing in Crystallography, eds. R. Diamond, S. Ramaseshan, and K. Venkatesan, Indian Acad. Sci., Bangalore, Inda (1980) pp. 28.01-28.16. _______, "Artificial Intelligence Is Coming," ORNL Review, pp. 32-37 (Spring 1981). _______ and J. Bachenko, "Applied Computational Linguistics in Perspective," Proc., Workshop, American Journal of Computational Linquistics, April- June 1982, 8, 55, 83 (1982). _______ and S.R. Jordan, "Emergency Management of Inland Oil and Hazardous Chemical Spills: A Case Study in Knowledge Engineering," Building Expert Systems, Ed. F. Hayes-Roth, D.A. Waterman, and D.B. Lenat, Addison-Wesley Pub. pp 349-397, (1983) J. D. Allen, Jr., B. A. Kelley, _______, and T. W. Oakes, "The Spills Problem and Applied Artificial Intelligence," Proc., 1980 UCC-ND and GAT Environmental Protection Seminar, Gatlinburg, TN, Apr. 5-7, 1982, ORNL Report (1983). _______, R. E. Blake, M. N. Burnett, R. E. Sherrod, and C. A. Goodman, "Flaw Speciation Language for Currency," ORNL/TM-10022 (1986). _______, R. E. Blake, M. N. Burnett, R. Cockett, C. A. Goodman, R. L. Schmoyer, Jr., and R. E. Sherrod, "Currency Flaw Evaluation in Theory and Practice," ORNL-6373 (December, 1987) _______, "Machine Intelligence Applications to Securities Production," Proc. Inter. Conf. on Security Documents for the 21st Century, ORNL CONF-8704175 (1987). A.6 Crystallographic Topology _______ and M.N. Burnett, "Crystallographic Topology and Its Applications", Proc. Macromolecular Crystallography Computing School, Western Washington Univ., Bellingham, WA, Aug.17-23, In Press, (1996) A.6 Miscellaneous _______, "Will Holography Revolutionize Crystallography?" Science 196, 478 (1977). _______, M. N. Burnett, and C. A. Goodman, "Committee Reports of the International Workshop on Printing Flaw Standards for Machine Inspection," CONF-8703158 (1987). M. N. Burnett, C. A. Goodman, N. A. Sexton, and _______, Eds, "Proceedings of the International Conference on Security Documents for the 21st Century," ORNL CONF- 8704175 (1987). ------------------------------------------------------------------------ B ORAL AND POSTER PRESENTATIONS for C. K. Johnson B.1 Structural Crystallography Presentation Abstracts _______, "Crystal Structures of Citric Acid Monohydrate and Two Deuterated Isomorphs Determined by Neutron Diffraction," ACA Mtg., Austin, TX, Feb. 28-Mar. 2, 1966. _______, "Diffraction Theory of Helices Distorted by Packing," 2nd Int. Congress of Pure and Applied Biophysics, Vienna, Austria, Sept. 5-9, 1966. _______, "Crystal Structure of 3-endo-Phenyl-2-endo-Norbornanol: A Neutron Diffraction Structure and Analysis Utilizing Isotopic Replacement," ACA Winter Mtg., Atlanta, GA, Jan. 25-28, 1967. _______ and G. D. Brunton, "Hydrogen Isotope Fractionation, Phase Transformation and Dynamic Disorder in YH5O2(C2O4)2H2O; A Neutron Diffraction Study," ACA Mtg., Albuquerque, NM, Apr. 4-8, 1972. _______, "Analysis of Some New Deuteration Results Obtained from Neutron Diffraction Studies," ACA Mtg., University of Florida, Gainesville, FL, Jan. 14-18, 1973. _______, H. L. Reed, R. F. Hall, and V. F. Raaen, "Physical and Molecular Properties of TCNQ-Benzene and TCNQ-Hexamethylbenzene Crystal," Symp. on Liquids and Amorphous Materials, ACA Mtg., Berkeley, CA, Mar. 24-28, 1974. _______, C. R. Watson, and R. J. Warmack, "Strange New Organic Conductors: The Tetrathiofulvane Halogen Complexes," ACA Spring Mtg., University of Virginia, Charlottesville, VA, Mar. 10-13, 1975. _______, "Crystallographic Analysis of Superstructure Modulation in the Organic Conductor (TIF)7I5," Int. Conf. on Low Lying Vibrational Modes and Their Relationship to Superconductivity and Ferroelectricity, San Juan, Puerto Rico, Dec. 1-4, 1975 [Proc. (1976)]. G. C. Lisensky, _______, and H. A. Levy, "A Neutron Diffraction Study of the 1:1 Molecular Complex of 7,7,8,8-Tetracyanoquinodimethane with Deuterated p-Terphenyl," ACA Winter Mtg., Clemson University, Clemson, SC, Jan. 18-22, 1976. _______, "On the Analysis of Dual-Subcell Superstructures and Their Consoluted Reciprocal Lattices," ACA Mtg., Clemson, University, Clemson, SC, Jan. 18-22, 1976. _______, "Structure Solution Methods for Superstructures," U.S.-Japan Seminar on Long-Range Ordering in Crystals, East-West Center, Honolulu, HI, Mar. 18-21, 1979. B.2 Crystallographic Graphics Presentation Abstracts _______, "Automated Graphic Arts Using a Digital X-Y Plotter as an Aid in Visualizing Thermal Motion," Annual ACA Mtg., Bozeman, MT, July 26-31, 1964. _______, "Procedures for Automated Plotting of Stereoscopic Crystal- Structure Illustrations," ACA Mtg., Gatlinburg, TN, June 27-July 2, 1965. _______, "Computer-Drawn Stereoscopic Illustrations of Molecular Models," 2nd Int. Congress of Pure and Applied Biophysics, Vienna, Austria, Sept. 5-9, 1966. _______, "Stereoscopic Drawings of Myoglobin, Vitamin B-12 Coenzyme, and Poly-Alanine," 2nd Int. Congress of Pure and Applied Biophysics, Vienna, Austria, Sept. 5-9, 1966. _______, "Visualizing Complex Molecular Structures with Stereoscopic Drawings Plotted by a Computer," Tenn. Acad. Sci. Mtg., East Tennessee State University, Johnson City, TN, Nov. 25, 1966. _______, "Representation Problems in Crystallographic Graphics," Workshop on Computer Graphics in Biology, Columbia, University, New York, NY, June 22- 24, 1976. M. N. Burnett and _______, "ORTEP-III: The Oak Ridge Thermal Ellipsoid Plot Program,";Burnett, M.N., General Assembly of Int. Union of Crystallography, Seattle, WA, Aug.8-17,1996 B.3 Thermal Motion Presentation Abstracts _______, "Segmented-Body Thermal Motion Analysis: An Extension of the Rigid-Body Approach," ACA Mtg., Minneapolis, MN, Aug. 14-18, 1967. _______, "Information on Molecular Motion Derived from Anisotropic Temperature Factor Coefficients," 2nd Nat'l Bureau of Standards Materials Research Symp., Gaithersburg, MD, Oct. 16-19, 1967 [Proc. (1967)]. _______, "Sources of Error in the Calculated Structure Factors Due to Atomic Motion," Int. Mtg. on Accurate Determination of X-Ray Intensities and Structure Factors, Cambridge, England, June 24-28, 1968. _______, "Generalized Treatments for Thermal Motion," Int. Summer School on Measurements and Interpretation of Accurate Neutron Structure Factors, Harwell, England, July 1-5, 1968 [Proc. (1970) pp. 132-160]. _______, "Higher Moments and Cumulants for Rigid Body Motion," ACA Mtg., Seattle, WA, Mar. 23-29, 1969. _______, "On Estimating Liberation from the Apparent Shrinkage of Interatomic Distances and Vice Versa," Int. Union of Crystallography, Buffalo, Stony, Brook, and Upton, NY, Aug. 7-27, 1969. _______, "Series Expansion Models for Thermal Motion," ACA Winter Mtg., New Orleans, LA, Mar. 205, 1970. _______, "Thermal-Motion Skewness and ORTEP-II," ACA Mtg., Columbia, SC, Feb. 104, 1971. _______, "A Set of Five Invariants for Reporting the Precision of Atomic Parameters," ACA Summer Mtg., Ames, IA, Aug. 15-21, 1971. _______, "Corrections for Interatomic Distances Based on Segmented-Body Thermal-Motion Analysis," ACA Summer Mtg., University of California/San Diego, La Jolla, CA, Aug. 16-20, 1982. B.4 Combinatorial Chemistry Presentation Abstracts B.5 Artificial Intelligence Presentation Abstracts _______, "Black-Box Structure Analysis: Is Specimen-to-Manuscript Automation Feasible?" ACA Summer Mtg., Penn State University, University Park, PA, Aug. 18-23, 1974. _______, "Interactive Image Processing and Computer Graphics," ACA Mtg., Michigan State University, East Lansing, MI, Aug. 7-12, 1977. _______, "A Quasi-Orthogonal Expansion for Higher-Order Atomic Thermal Motion," ACA Summer Mtg., Boston, MA, Aug. 12-19, 1979. R. S. Englemore, A. Terry, S. T. Freer, and _______, "A Knowledge-Based System for Interpreting Protein Electron Density Maps," ACA Summer Mtg., Boston, MA, Aug. 12-19, 1979. _______, "Programmed Reasoning Methodology," ACA Winter Mtg., Eufaula, AL, Mar. 17-21, 1980. _______, "Knowledge Engineering Applications at Oak Ridge National Laboratory," 6th Annual Artificial Intelligence in Medicine (AIM) Workshop, Stanford University, Stanford, CA, Aug. 13-16, 1980. _______, "The Manuscript Writing Bottleneck: Is Text Generation Through Computational Linguistics Applicable?" ACA Mtg., Nat'l Bureau of Standards, Gaithersburg, MD, Mar. 19-Apr. 2, 1982. _______, "Is Specimen to Manuscript Automation Feasible in Analytical Chemistry?" 27th ORNL Conf. on Anal. Chem. in Energy Technology, Knoxville, TN, Oct. 2-4, 1984. _______, "Artificial Intelligence: A Crystallographic Perspective," Symp. on Artificial Intelligence and Expert Systems in Chemistry, Rochester Section of the ACS, Rochester, NY, Oct. 11, 1985. B.6 Crystallographic Topology Abstracts _______ and E. Grosse, "Interpolation Polynomials, Minimal Spanning Trees and Ridge-Line Analysis in Density Map Interpretation," ACA Mtg., Northwestern University, Evanston, IL, Aug. 8-12, 1976. _______, "Peaks, Passes, Pales, and Pits: A Tour Through the Critical Points of Interest in a Density Map," ACA Mtg., Asilomar, CA, Feb. 21-25, 1977. _______, "Interaction Analysis of Critical Point Networks in Macromolecule Density Maps," 11th Int. Congress of Crystallography, Marszawa, Poland, Aug. 3-12, 1978. _______, "Topological Symmetry Mapping of Asymmetric Unit Regions," ACA Mtg., Honolulu, HI, Mar. 26-30, 1979. _______, "Critical Point Topology in Crystals," American Crystallographic Association 1992 Annual Meeting, Pittsburgh, PA, August 9-14, 1992. _______, "Morse Theory Topology Potpourri: Extended-Net Structures, Macromolecule Density-Map Interpretation, and Direct-Methods Phasing," American Crystallographic Association Annual Meeting, Albuquerque, New Mexico, May 23- 28, 1993. _______, "Crystallographic Orbifold Atlas,", 2nd Canadian Computational Chemistry Conf., Queen's Univ., Kingston, Ontario, Canada,May 21-25,1994 _______, M. N. Burnett, "Euclidean and Spherical 2-Orbifolds", Annu. Meet. Am. Crystallographic Assoc., Atlanta, June 25-July 1,1994 M. N. Burnett and _______, "Euclidean Orbifolds and Their Singular Sets", Annu. Meet. Am. Crystallographic Assoc., Atlanta, June 25-July 1,1994 M. N. Burnett and _______, "Critical Polyhedra on Orbifolds: Topology in Crystal Structure Prediction,"Annu. Meet. Am. Crystallogr. Assoc., Montreal, July 23-28,1995 _______ and M. N. Burnett, "Crystal Structure Topology Illustrations: Critical Polyhedra in Euclidean and Orbifold Spaces," Annu. Meet. Am. Crystallogr. Assoc., Montreal, July 23-28,1995 _______ and M. N. Burnett, "Crystallographic Topology and Its Applications," Proc. Macromolecular Crystallography Computing School, Western Washington Univ., Bellingham, WA, Aug.17-23,1996 B.7 Miscellaneous Presentation Abstracts W. R. Busing, R. D. Ellison, _______, and H. A. Levy, "A Relatively Inexpensive Computer-Controlled Diffractometer," ACA Mtg., Suffern, NY, Feb. 22-26, 1965. _______, "The Personal Microcomputer in Crystallography," ACA Spring Mtg., University of Oklahoma, Norman, OK, Mar. 19-24, 1978. _______, "Automated Video Optical Microscopy," DOE Special Technologies EXPO '93, Y-12, Oak Ridge, TN, May 3-6, 1993. C .E. Strouse, G. J. Bunick, and M. N. Burnett, _______, "ORNL 4-Circle Neutron Diffractometer", Annu. Meet. Am. Crystallogr. Assoc., Atlanta, June 28-July 1,1994