Conference Papers Presented 2005 - 2009 (1996-1999) (2000) (2001) (2002) (2003) (2004) (2010-present) (Chronological)

  1. T. Rignall, C. McCabe, and M. E. Himmel, “Energetics and Conformations of the Hydrated Cel7A Linker Peptide,” 27th Symposium on Biotechnology for Fuels and Chemicals, Denver, CO, May 1 – 4 2005. (Best Poster Award).

  2. A. Striolo, C. McCabe, and P. T. Cummings, “Polyhedral Oligomeric Sislesquioxanes in Organic Solutions: Thermodynamic Properties from Molecular Simulations,” 7th Italian Conference on Chemical & Process Engineering, Giardini Naxos, Italy, May 18th 2005.

  3. P. Morgado, H. G. Zhao, M. C. dos Ramos, C. McCabe, F. J. Blas, E. J. M. Filipe, “Phase equilibria behaviour of alkane, perfluoroalkane and perfluoroalkane-alkane diblock surfactants and their mixtures” 6th Liquid Matter Conference, Utrecht University, the Netherlands, July 2-6 2005.

  4. L. X. Sun, H. G. Zhao and C. McCabe, “Mixture Phase Equilibria and Critical Behavior of Alkanes and CO2 using the SAFT-VRX Equation,” 6th Liquid Matter Conference, Utrecht University, the Netherlands, July 2-6 2005.

  5. L. X. Sun, H. G. Zhao and C. McCabe, “Mixture Phase Equilibria and Critical Behavior of Alkanes and CO2 using the SAFT-VRX Equation,” 7th World Congress of Chemical Engineering, Glasgow, UK, July 11th 2005.

  6. C. McCabe, S. C. Glotzer, J. Kieffer, M. Neurock and P. T. Cummings, “Multiscale Simulation of the Properties of Nanostructured Organic/Inorganic Hybrid Materials,” Proceedings of the 7th World Congress of Chemical Engineering, Glasgow, UK July 11th 2005.

  7. T. Rignall, C. McCabe, and M. E. Himmel, “Energetics and Conformations of the Hydrated Cel7A Linker Peptide,” 2005 Gordon Research Conference on Cellulases and Cellulosomes, Proctor Academy, Andover, NH, August 10th 2005.

  8. C. McCabe, “Molecular Modeling of Complex Fluids and Nanostructured Materials,” 1st US - China Workshop on Chemical Engineering, Beijing, China, August 9 -12, 2005. Invited.

  9. E. Chan, A. Striolo, C. McCabe, P. T. Cummings and S. C. Glotzer, “Multiscale modeling and simulation of polymer-tethered silsesquioxane assemblies,” 230th ACS National Meeting, Washington, DC, August 28th, 2005.

  10. C. McCabe, “Multiscale simulation of the assembly and properties of nanostructured organic/inorganic hybrid materials,” 230th ACS National Meeting, Washington, DC, August 28th, 200. Invited.

  11. C. McCabe, “Computational Nanotechnology: From Atomistic Simulation to Thermodynamic Models,” Tutorial on Computational Methods in Nanotechnology,” AIChE Annual Meeting, Cincinnati, Ohio, October 30th 2005. Invited.

  12. T. Rignall, C. McCabe and M. E. Himmel, “Molecular Modeling of Cellulose Hydrolysis: The Hydrated Cel7A Linker Peptide,” AIChE Annual Meeting, Cincinnati, Ohio, October 31st 2005.

  13. Y. Peng, H. G. Zhao and C. McCabe, “On the Thermodynamics of Chain Fluids from Simulation and the Heteronuclear SAFT-VR Approach,” AIChE Annual Meeting, Cincinnati, Ohio, October 31st 2005.

  14. H. G. Zhao, C. M. Earnest and C. McCabe, “Phase Behavior of dipolar fluids from the SAFT-VR equation of state,” AIChE Annual Meeting, Cincinnati, Ohio, November 1st 2005.

  15. A. Striolo, C. McCabe, P. T. Cummings, “Polyhedral Oligomeric Sislesquioxanes in Solution: Insights from All-Atom Molecular Dynamics Simulations,” AIChE Annual Meeting, Cincinnati, Ohio, November 1st 2005.

  16. B. J. Schindler, C. McCabe, P. T. Cummings, M. D. LeVan, “Comparison of Adsorption of Spherical and Non-Spherical Nitrogen in Parallel Slit Pores Using Density Functional Theory: Density Profiles and Pore Size Distributions,” AIChE Annual Meeting, Cincinnati, Ohio, November 1st 2005.

  17. L. Sun, H. G. Zhao, C. McCabe, “Evaluation of the Phase Equilibria of Gas Condensates and Light Petroleum Fractions using the SAFT-VR approach,” AIChE Annual Meeting, Cincinnati, Ohio, November 2nd 2005.

  18. E. Chan, A. Striolo, C. McCabe, S. Glotzer, P. T. Cummings, “Development of Coarse-Grained Force Fields for Polymer-Tethered Silsesquioxanes,” AIChE Annual Meeting, Cincinnati, Ohio, November 2nd 2005.

  19. P. S. Redmill, A. Striolo, C. McCabe and P. T. Cummings, “Determining the Octanol-Water Partition Coefficient for POSS Systems,” AIChE Annual Meeting, Cincinnati, Ohio, November 4th 2005.

  20. C. McCabe, “Molecular Modeling of Complex Fluids and Materials,” Department of Chemical Engineering, University of Memphis, Memphis, Tennessee, April 5th 2006. Invited.

  21. C. McCabe, “Multiscale simulation of the assembly and properties of nanostructured organic/inorganic hybrid materials,” Molecular Thermodynamics and Molecular Simulation 06, Chiba, Japan, May 24th 2006. Invited.

  22. M. C. Dos Ramos, F. J. Blas, P. Morgado, E. J. M. Filipe, H. G. Zhao and C. McCabe, “Phase Behavior of Binary and Ternary Mixtures of Alkane, Perfluoroalkane and Perfluoroalkylalkane Diblock Surfactants Using the SAFT-VR Approach” 7th Liblice Conference on the Statistical Mechanics of Liquids, Lednice, Czech Republic, June 12th 2006.

  23. C. McCabe, “Molecular Modeling of the Hydrated T. reesei Linker Peptide,” Center for Nanophase Materials Sciences User Meeting, Oak Ridge National Laboratory, Oak Ridge, Tennessee, June 15th 2006. Invited.

  24. H. G. Zhao and C. McCabe, “A Statistical Associating Fluid Theory for Strong Electrolyte Solutions,” 3rd Foundations of Molecular Modeling and Simulation Conference, Semiahmoo, Blaine, WA, July 9th -14th 2006.

  25. A. Striolo, E. R. Chan, C. McCabe, S. C. Glotzer, P. T Cummings, “Multiscale Simulation of Organic-Inorganic Polyhedral Nano-Materials,” 3rd Foundations of Molecular Modeling and Simulation Conference, Semiahmoo, Blaine, WA, July 9th -14th 2006.

  26. Y. Peng, T. Ionescu, S. Capps and C. McCabe, “Molecular Simulation and Theoretical Modeling of Polyhedral Oligomeric Silsequioxanes,” 3rd Foundations of Molecular Modeling and Simulation Conference, Semiahmoo, Blaine, WA, July 9th -14th 2006.

  27. P. S. Redmill, C. McCabe and P. T. Cummings, “Determining Thermodynamic Solubility Parameters for Nanoscale Building Blocks,” 3rd Foundations of Molecular Modeling and Simulation Conference, Semiahmoo, Blaine, WA, July 9th -14th 2006.

  28. B. Schindler, C. McCabe, P. T. Cummings and M. D. LeVan, “Comparison of a SAFT-DFT Approach and Monte Carlo Simulations for Adsorption in Parallel Slit Pores,” 3rd Foundations of Molecular Modeling and Simulation Conference, Semiahmoo, Blaine, WA, July 9th -14th 2006.

  29. A. Striolo, E. R. Chan, C. McCabe, S. C. Glotzer and P. T. Cummings, “Multiscale Simulation of Organic-Inorganic Polyhedral Nano-Materials,” 16th Symposium of Thermophysical Properties, Boulder, Colorado, July 30th 2006.

  30. H. G. Zhao and C. McCabe, “A Statistical Associating Fluid Theory for Electrolyte Solutions,” 16th Symposium of Thermophysical Properties, Boulder, Colorado, August 4th 2006.

  31. C. McCabe, “Molecular Modeling of Complex Fluids and Materials,” Department of Chemical Engineering, University of Auburn, Auburn, Alabama, October 4th 2006. Invited.

  32. M. Castro, A. Martìnez, C. McCabe, A. Gil-Villegas, “Molecular Thermodynamics of Chemical Adsorption,” XLIX Mexican Physical Society Congress, October 16-20 2006.

  33. C. McCabe, “Molecular Modeling of Complex Fluids and Materials,” Department of Chemical and Biomolecular Engineering, University of Notre Dame, Notre Dame, Indiana, October 25th 2006. Invited.

  34. S. Capps, P. S. Redmill, C. McCabe, “Determining Thermodynamic Solubility Parameters for Polyhederal Oligomeric Silsequioxanes,” AIChE Annual Student Meeting, San Francisco, California, November 11th 2006.

  35. M. Earnest, H. G. Zhao and C. McCabe, “Modeling Phase Equilibria of Dipolar Fluids with the SAFT-VR+D Equation,” AIChE Annual Student Meeting, San Francisco, California, November 11th 2006. (3rd place in undergraduate student poster competition)

  36. H. G. Zhao and C. McCabe, “A Statistical Associating Fluid Theory for Electrolyte Solutions,” AIChE Annual Meeting, San Francisco, California, November 13th 2006.

  37. P. S. Redmill, S. Capps, C. McCabe and P. T. Cummings, Probing Biologically Relevant Solubility Parameters for Selected Nanoscale Building Blocks Using Molecular Dynamics, Eleventh International Conference on Properties and Phase Equilibria for Product and Process Design, Hersonissos, Crete, Greece, May 21st 2007.

  38. P. Morgado, F. Menezes, L. Martins, C. Laginhas, C. McCabe and E. J. M. Filipe, “Thermodynamic properties of Perfluoroalkylalkanes,” Eleventh International Conference on Properties and Phase Equilibria for Product and Process Design, Hersonissos, Crete, Greece, May 23rd 2007.

  39. H. G. Zhao, M. C. dos Ramos and C. McCabe, “A Statistical Associating Fluid Theory for Electrolyte Solutions,” Eleventh International Conference on Properties and Phase Equilibria for Product and Process Design, Hersonissos, Crete, Greece, May 23rd 2007.

  40. H. G. Zhao, M. C. dos Ramos and C. McCabe, “A Statistical Associating Fluid Theory for Electrolyte Solutions,” 30th International Conference on Solution Chemistry, Perth, Australia, August 18th 2007.

  41. K. R. Hadley and C. McCabe, “Molecular Modeling of Self-Assembling Human Skin Lipids,” 10th Gordon Research Conference on Barrier Function of Mammalian Skin, Salve Regina University, August 5th-10th, 2007.

  42. C. McCabe, “Molecular Modeling of Complex Fluids Using a SAFT Based Approach,” Department of Chemical Engineering, National University of Singapore, Singapore, August 23rd 2007. Invited.

  43. C. McCabe, “Molecular Modeling of Complex Fluids and Materials,” Department of Chemistry, Chiba University, Chiba-shi, Japan, September 12th 2007. Invited.

  44. C. McCabe, “Molecular Modeling of Complex Fluids,” Society of Chemical Engineers of Japan 39th Autumn Meeting, University of Hokkaido, Sapporo, Japan, September 13th 2007. Invited.

  45. P. S. Redmill, S. Capps C. McCabe, and P. T. Cummings, “Determining thermodynamics solubility parameters for nanoscale building blocks,” Fall Creek Falls 2007, Nashville TN, September 24th 2007.

  46. A. Gil-Villegas, M. Castro, E. Buenrostro-González and C. McCabe, “Predicting Adsorption Isotherms Using a Two Dimensional Statistical Associating Fluid Theory,” Thermodynamics 2007, Paris, France, September 26th 2007

  47. C. McCabe, “Molecular Modeling of Nanostructured Systems,” Department of Chemical and Materials Engineering, University of Cincinnati, Cincinnati, Ohio, October 4th 2007. Invited.

  48. K. D. Goff, M. C. dos Ramos, H. G. Zhao and C. McCabe, “Modelling the Phase Behaviour of H2S + n-Alkanes with the SAFT Equation of State,” AIChE Annual Student Meeting, Salt Lake City, Utah, November 5th 2007. (1st place in undergraduate student poster competition)

  49. M. C. dos Ramos, H. G. Zhao and C. McCabe, “Modeling the Thermodynamic Behavior of Systems Containing Charged and/or Dipolar Fluids,” AIChE Annual Meeting, Salt Lake City, Utah, November 5th 2007.

  50. Y. Peng, K. D. Goff, M. C. dos Ramos, and C. McCabe, “Developing a Group Contribution Based SAFT-VR,” AIChE Annual Meeting, Salt Lake City, Utah, November 6th 2007.

  51. O. A. Mazyar, A. Cione, B. Booth, G. Kane Jennings, and C. McCabe, “Ionic Liquids as Novel Lubricants: Application to Nano-Electromechanical Systems,” AIChE Annual Meeting, Salt Lake City,
    Utah, November 7th 2007.

  52. K. R. Hadley and C. McCabe, “Coarse Graining of Crystalline Free-Fatty Acids,” AIChE Annual Meeting, Salt Lake City, Utah, November 7th 2007.

  53. X. Zhao, C. McCabe and M. E. Himmel, “ Conformational energies of cellobiohydrolase I linker on cellulose surface,” AIChE Annual Meeting, Salt Lake City, Utah, November 8th 2007.

  54. C. McCabe, “Molecular Modeling of Complex Fluids and Materials,” Department of Chemistry, Vanderbilt University, Nashville, TN, December 10th 2007. Invited.
  55. C. McCabe, “Molecular Modeling of Complex Fluids and Materials,” Department of Chemistry, Vanderbilt University, Nashville, TN, December 10th 2007. Invited.

  56. C. McCabe, “Using Molecular Modeling to Understand Enzymatic Cellulose Hydrolysis,” Scientific Impacts and Opportunities in Computing workshop, Maui, HI, January 10th 2008. Invited.

  57. C. McCabe, “Molecular Modeling of Complex Fluids with a SAFT-Based Approach,” Department of Chemistry, University of Kansas, Lawrence, KS, February 19th 2008. Invited.

  58. C. McCabe, “Molecular Modeling of Complex Fluids,” ACS Spring National Meeting, New Orleans, LA, April 6th 2008. Invited.

  59. C. McCabe, “Using Molecular Modeling to Understand Enzymatic Cellulose Hydrolysis,” AIChE Spring National Meeting, New Orleans, LA, April 8th 2008. Invited.

  60. C. McCabe, “Molecular and Coarse-Grained Modeling of Complex Systems,” MICHELIN Technology Center, Clermont-Ferrand, France, May 23rd 2008. Invited.

  61. C. McCabe, “Molecular modeling of fluids: From molecular simulation and molecular theory to engineering systems,” 5th Chemical Engineering Conference for Collaborative Research in Eastern Mediterranean Countries (EMCC-5),” Cetraro, Italy, May 26th 2008. Invited.

  62. K. R. Hadley and C. McCabe, “Coarse-Grained Simulations of Stratum Corneum Lipids,” Fifth Annual Tennessee Structural Biology Symposium: Vanderbilt University, Nashville, TN, June 20th 2008.

  63. C. McCabe, “Molecular Modeling of Complex Fluids and Materials,” Department of Chemical and Biomolecular Engineering, Rice University, Houston TX, October 2nd 2008. Invited.

  64. J. Westwood, M. C. dos Ramos and C. McCabe. “Application of the GC-SFAT-VR Equation of State to Predict Fluid Phase Behaviour”, AIChE Annual Meeting, Philadelphia, Pennsylvania, November 17th 2008. (3rd place in undergraduate student poster competition)

  65. O. A. Mazyar, G. K. Jennings, C. McCabe, “Molecular Dynamics Studies of Friction and Lubrication In Nanoelectromechanical Devices,” AIChE Annual Meeting, Philadelphia, Pennsylvania, November 17th 2008.

  66. K. R. Hadley and C McCabe, “Coarse-Grained Water Model for Multiple Waters Mapped to Single Sites,” AIChE Annual Meeting, Philadelphia, Pennsylvania, November 17th 2008.

  67. X. Zhao, E. O’Neal, W. S. Adney, M. E. Himmel, C. McCabe, “Using Molecular Modeling to Understand Enzymatic Cellulose Hydrolysis,” AIChE Annual Meeting, Philadelphia, Pennsylvania, November 17th 2008.

  68. M. C. dos Ramos, Y. Peng, K. Goff and C. McCabe. “Predicting the VLE for Polymer Systems with the GC-SAFT-VR Approach”, AIChE Annual Meeting, Philadelphia, Pennsylvania, November 18th 2008.

  69. B. D. Booth, G. K. Jennings, O. A. Mazyar, C. McCabe, “Tribometric Characterization and Simulations of Monolayer Films on Silicon and Gold,” AIChE Annual Meeting, Philadelphia, Pennsylvania, November 20th 2008.

  70. K. R. Hadley and C McCabe, “Retention of the Structural Properties of Cholesterol on the Coarse-Grained Level,” AIChE Annual Meeting, Philadelphia, Pennsylvania, November 21st 2008.

  71. C. McCabe, “Molecular Modeling of Nanostructured Systems,” Center for Simulational Physics 22nd Annual Workshop, Recent Developments in Computer Simulation Studies in Condensed Matter Physics, University of Georgia, Athens, GA, February 23rd 2009. Invited.

  72. C. McCabe, “Molecular Modeling of Complex Fluids,” Department of Chemical and Materials Engineering, University of Kentucky, Lexington, KY, April 15th 2009. Invited.

  73. X. Zhao, C. Taylor, C. McCabe, W. S. Adney and M. E. Himmel, “Role of Cel7A Linker in Enzymatic Hydrolysis of Cellulose Chains: A Simulation Study,” U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, 2009 Nanoscale Science Research Centers Contractors Meeting, Annapolis, MD, June 4th 2009. Invited.

  74. S. G. Vilt, C. McCabe, and G. Kane Jennings, “Chain Mobility and Functional Group Effects in Micro-Scale Friction,” 13th IACIS International Conference on Surface and Colloid Science and the 83rd ACS Colloid & Surface Science Symposium, Columbia University, New York, NY, June 19th 2009.

  75. M. C. dos Ramos and C. McCabe,  “Modeling the Thermodynamic Phase Behavior of Charged fluids using the SAFT-VR+DE EOS,” 17th Symposium on Thermophysical Properties, Boulder, CO, June 21 - 26th 2009.

  76. M. C. dos Ramos, Y. Peng, K. D. Goff, J. Westwood and C. McCabe, “A Group Contribution SAFT-VR Equation of State to Predict the Fluid Phase Behavior of Complex Systems,” 17th Symposium on Thermophysical Properties, Boulder, CO, June 21 - 26th 2009.

  77. K. R. Hadley and C. McCabe, “Developing Coarse Grained Models for Skin Lipids,” 17th Symposium on Thermophysical Properties, Boulder, CO, June 21 - 26th 2009.

  78. B. J. Lewis, J. L. Rivera, O. A. Mazyar, S. Vilt, G. K. Jennings and C. McCabe, “Novel Lubrication Schemes for Silicon-Based Microelectromechanical Devices,” Foundations of Molecular Modeling and Simulation (FOMMS 2009), Blaine, WA, July 12 - 16th 2009.

  79. C. McCabe, “A Molecular Based Approach to Modeling Complex Fluids,” Foundations of Molecular Modeling and Simulation (FOMMS 2009), Blaine, WA, July 12 - 16th 2009. Invited.

  80. J. L. Rivera, O. A. Mazyar, B. J. Lewis, G. K. Jennings and C. McCabe, “Molecular Dynamics Studies of Friction in Alkylsilane and Hydroxyalkylsilane Coated MEMs Devices,” Foundations of Molecular Modeling and Simulation (FOMMS 2009), Blaine, WA, July 12 - 16th 2009.

  81. K. R. Hadley, S. Guo and C. McCabe, “Studying the Self Assembly of Stratum Corneum Lipids via Molecular Simulation,” 11th Gordon Research Conference on Barrier Function of Mammalian Skin, Waterville Valley Resort, Waterville NH, August 9th-14th, 2009.

  82. B. J. Lewis, J. L. Rivera, O. A. Mazyar, S. Vilt, G. K. Jennings and C. McCabe, “Novel Lubrication Schemes for Silicon-Based Microelectromechanical Devices,” Fall Creek Falls 2009 - Leadership Computing on Petascale Resources, Chatanooga, TN, September 22nd 2009.

  83. K. R. Hadley, S. Guo and C. McCabe, “Studying the Self Assembly of Stratum Corneum Lipids via Molecular Simulation,” Fall Creek Falls 2009 - Leadership Computing on Petascale Resources, Chatanooga, TN, September 22nd 2009.

  84. C. McCabe, “A Molecular Based Approach to Modeling Complex Fluids,” Molecular Thermodynamics and Molecular Simulation 2009, Kanasawa University, Kanasawa, October 5th 2009. Keynote.

  85. C. McCabe, “A Molecular Based Approach to Modeling Complex Fluids,” 5th US-Sino Joint Conference of Chemical Engineering, Beijing, China, October 15th 2009. Invited.

  86. X. Zhao, T. Rignall, C. McCabe, W. S. Adney, and M. E. Himmel, “Molecular Simulation Evidence for Processive Motion of Trichoderma reesei Cel7A during Cellulose Depolymerization,” MRS Fall Meeting, Boston, Massachusetts, November 30th 2009. Invited.

  87. J. D. Haley, M. C. Dos Ramos and C. McCabe, “Phase Behavior of Complex Systems Using the GC-SAFT-VR Equation of State,” AIChE Annual Meeting, Nashville, Tennessee, November 9th 2009. (3rd  place in undergraduate student poster competition)

  88. J. Mikhail, G. Rouvelas, C. Taylor and C. McCabe, “Analyzing the Distribution of Water around the Cellobiohydrolase I Linker Peptide,” AIChE Annual Meeting, Nashville, Tennessee, November 9th 2009. (2nd place in undergraduate student poster competition)

  89. M. C. Dos Ramos and C. McCabe, “Modeling the Phase Behavior, Excess Enthalpies and Henry's Constants of the H2O + H2S Binary Mixture Using the SAFT-VR+D Approach,” AIChE Annual Meeting, Nashville, Tennessee, November 9th 2009.

  90. M. C. Dos Ramos, N. A. Aziz, J. R. Westwood, J. D. Haley and C. McCabe, “Application of the GC-SAFT-VR Equation to Predict Fluid Phase Behavior of Associating Systems,” AIChE Annual Meeting, Nashville, Tennessee, November 10th 2009.

  91. B. D. Booth, S. G. Vilt, C. McCabe and G. K. Jennings, “Tribometric Comparison of n-Alkanethiolate and n-Alkyl Trichlorosilane Monolayers,” AIChE Annual Meeting, Nashville, Tennessee, November 10th 2009.

  92. S. G. Vilt, J. B. Lewis, J. L. Rivera, C. McCabe and G. K. Jennings, “Characterization of Surface and Frictional Properties of Two-Component Alkyltrichlorosilane Monolayers,” AIChE Annual Meeting, Nashville, Tennessee, November 11th 2009.

  93. J. L. Rivera, G. K. Jennings and C. McCabe, “Molecular Dynamics Studies of Friction in Alkylsilane and Hydroxyalkylsilane Coated MEMS Devices,” AIChE Annual Meeting, Nashville, Tennessee, November 12th 2009.

  94. X. Zhao, C. Taylor, C. McCabe, W. S. Adney, and M. E. Himmel, “Investigating the Role of the Cel7A Linker Peptide in Enzymatic Hydrolysis of Cellulose Chains: A Simulation Study,” AIChE Annual Meeting, Nashville, Tennessee, November 12th 2009.

  95. M. C. Dos Ramos and C. McCabe, “Predicting the Phase Behavior of Charged and Polar Fluids Using the SAFT-VR+DE Approach,” AIChE Annual Meeting, Nashville, Tennessee, November 13th 2009.

  96. K. R. Hadley, S. Guo and C. McCabe, “Self-Assembly of Coarse-Grained Stratum Corneum Lipids,” AIChE Annual Meeting, Nashville, Tennessee, November 13th 2009.