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

  1. A. Galindo, A. Gil-Villegas, G. Jackson, C. McCabe, P. J. Whitehead, and A. N. Burgess, “Statistical Associating Fluid theory for Chain Molecules With Variable Attractive Potential Range (SAFT-VR),” European Physical Society (EPS), 3rd Liquid Matter Conference, Norwich, July 7th 1996.

  2. A. Gil-Villegas, C. McCabe, L. A. Davies, G. Jackson, A. Galindo and A. N. Burgess, “Statistical Associating Fluid theory for Chain Molecules With Attractive Potential’s of Variable Range,” XXVI Winter Meeting on Statistical Physics, Cuernavaca, Mexico, January 16th 1997.

  3. A. Gil-Villegas, A. Galindo, C. McCabe, P. J. Whitehead, G. Jackson, and A. N. Burgess, “Statistical Associating Fluid theory for Chain Molecules With Attractive Potential’s of Variable Range (SAFT-VR)”, 15th European Seminar on Applied Thermodynamics, Runcorn/Liverpool, June 13th 1996.

  4. C. McCabe, A. Galindo, A. Gil-Villegas, and G. Jackson, “Predicting the High-Pressure Phase Equilibria of Binary Mixtures of Alkanes and Perfluoroalkanes”, 13th Symposium on thermophysical Properties, Boulder, Colorado, June 26th 1997.

  5. M. N. Garcia-Lisbona, G. Jackson, and C. McCabe, “Prediction of Phase Equilibria In Complex Fluids and Mixtures with the SAFT Approach”, BP Chemicals, Sunbury, March 24th 1998.

  6. M. N. Garcia-Lisbona, G. Jackson, and C. McCabe, “SAFT Predictions of thermodynamic Properties of Fluids of Interest to BP,” BP Chemicals, Lavera, France, June 24th 1998.

  7. C. McCabe, L.A. Davies, A. Gil-Villegas, G. Jackson, S. Calero, and S. Lago, “Simulation of the Phase Equilibria of Monomer-Dimer Mixtures,” XXth IUPAP International Conference on Statistical Physics, Paris, July 20th – 21st 1998.

  8. S. Burton, A. Galindo, C. McCabe, G. Jackson, and A. N. Burgess, “Predicting the Phase Behavior of Complex Fluids For Industrial Applications,” XXth IUPAP International Conference on Statistical Physics, Paris, July 20th – 21st 1998.

  9. C. McCabe, A. Gil-Villegas, L.A. Davies, and G. Jackson, “Recent Developments in SAFT for Homo and Hetero-Nuclear Molecules,” 15th International Conference on Chemical Thermodynamics ICCT-98, Porto, Portugal, July 27th 1998.

  10. E. J. M. Filipe, L. M. B. Dias, J. C. G. Calado, C. McCabe, and G. Jackson, “Xenophobia and Xenophilia'', 15th International Conference on Chemical Thermodynamics ICCT-98, Porto, Portugal, July 28th 1998.

  11. E. J. M. Filipe, L. M. B. Dias, J. C. G. Calado, C. McCabe, and G. Jackson, “Mixtures of Xenon, Alkanes and Perfluoroalkanes,” 1st Workshop on Global Phase Diagrams, Walberberg, Cologne, Germany, March 22nd –24th 1999.

  12. L. M. B. Dias, E. J. M. Filipe, J. C. G. Calado, C. McCabe, and G. Jackson, “Thermodynamics of Liquid Boron Trifluoride and Butane'', 16th Thermodynamics Conference, Imperial College, London, July 14th –16th 1999.

  13. M. N. Garcia-Lisbona, A. Galindo, C. McCabe, and G. Jackson, “the Phase Equilibria of Binary and Ternary Mixtures of Non-Ionic Surfactants, Oligomers and Polymers,” 16th Thermodynamics Conference, Imperial College, London, July 14th –16th 1999.

  14. C. McCabe, M. N. Garcia-Lisbona, A. Galindo, and G. Jackson, “The Phase Equilibria of Binary and Ternary Mixtures of Non-Ionic Surfactants, Oligomers and Polymers,” 4th Liquid Matter Conference, University of Granada, Spain, July 3rd –7th 1999.

  15. C. McCabe, “Phase Behavior of Chain Molecules using the SAFT-VR Approach,” XII School on Complex Fluids, San Luis, Potosi, Mexico, September 1st 1999. Invited.

  16. C. McCabe, M. N. Garcia-Lisbona, and G. Jackson, “Phase Equilibria of Binary Mixtures of Oligomers and Polymers,” AIChE Annual Meeting, Dallas, November 2nd 1999.

  17. C. McCabe, J. D. Moore, S. T. Cui, P. T. Cummings, and H. D. Cochran, “Molecular Dynamics Simulations of the Rheological Properties of Linear and Branched Alkanes in the C20-C40 range,” AIChE Annual Meeting, Dallas, November 2nd 1999.

  18. C. McCabe, S. T. Cui, and P. T. Cummings, “Molecular Dynamics Simulation of the Rheology of 9-Octyldocosane,” 14th Symposium on thermophysical Properties, Boulder, Colorado, June 25th 2000.

  19. C. McCabe, S. T. Cui, and P. T. Cummings, “Examining the Rheology of 9-Octylheptadecane by Molecular Simulation”, Foundations of Molecular Modeling and Simulation (FOMMS 2000), Keystone, Colorado, July 26th 2000.

  20. P. T. Cummings, J. D. Moore, S. T. Cui, H. D. Cochran and C. McCabe, “Transient Rheology of a Polyethylene Melt Under Shear”, Rheology 2000, Cambridge, August 23rd 2000.

  21. C. McCabe, D. Bedrov, G. D. Smith, and P. T. Cummings, “A Molecular Dynamics Study of the Rheology of Perfluoroalkanes: Comparing A Fully Atomistic and United Atom Model” AIChE Annual Meeting, Los Angeles, November 16th 2000.

  22. C. McCabe, D. Bedrov, G. D. Smith, and P. T. Cummings, “Examining the Rheology of Flourinated Molecules by Molecular Simulation”, Thermodynamics 2001, Bristol, UK, April 5th 2001.

  23. S. T. Cui, C. McCabe, H. D. Cochran and P. T. Cummings, “Structure and Rheology of Linear and Branched Alkane Fluids Confined To Nanoscale Gaps”, Thermodynamics 2001, Bristol, UK, April 5th 2001.

  24. C. McCabe, Y. V. Kalyuzhnyi and P. T. Cummings, “thermodynamic Properties of Freely-Jointed Hard-Sphere Multi-Yukawa Chain Fluids,” PPEPPD, Kurashiki, Japan, 2001.

  25. S. Furukawa, C. McCabe, P. T. Cummings, T. Nitta, “Non-Equilibrium Molecular Dynamics Simulation Studies On the Behavior of Hydrocarbon-Isomers In Silicalite,” PPEPPD, Kurashiki, Japan, 2001.

  26. E. J. M. Filipe, L. M. B. Dias, J. C. G. Calado, C. McCabe, and G. Jackson, ”Is Xenon an "ennobled" alkane?” 76th International Bunsen Discussion Meeting: Global Phase Diagrams,” Walberberg, Germany, August 21st 2001.

  27. C. McCabe and P. T. Cummings, “Characterizing Lubricant Properties by Molecular Simulation,” 6th World Congress of Chemical Engineering, Melbourne, Australia, September 27th 2001.

  28. C. McCabe, E. J. M. Filipe and L. M. B. Dias, "Mixtures of Xenon, Alkanes and Perfluorocompounds: theory and Experiment," AIChE Annual Meeting, Reno, Nevada, November 7th 2001.

  29. H-C. Li, C. McCabe, S. T. Cui, P. T. Cummings and H. D. Cochran, "Development of A Force Field For Molecular Simulation of the Phase Equilibria of Perfluoroethers," AIChE Annual Meeting, Reno, Nevada, November 7th 2001.

  30. S. T. Cui, C. McCabe, P. T. Cummings, H. D. Cochran, Y Zhu and S Granick "Rheology of Thin Confined Films: Coordinated Molecular Simulations and Surface Force Apparatus Experiments," AIChE Annual Meeting, Reno, Nevada, November 7th 2001.

  31. C. McCabe, P. T. Cummings, C. Manke, P A Gordon, R. B Saeger, "Characterizing the High Pressure Behavior of Lubricant Basestocks," AIChE Annual Meeting, Reno, Nevada, November 9th 2001.

  32. C. McCabe, P. T Cummings, S. Bair, and C. Manke, Characterizing the High Pressure Behaviour of Lubricant Basestocks, ", ACS National meeting, Orlando, FL, April 10th 2002.

  33. P. T. Cummings, S. T. Cui, C. McCabe, and H. D. Cochran, "Molecular Simulation of the Structure and Rheology of Nano-Confined Fluids", ACS National meeting, Orlando, FL, April 10th 2002. Invited.

  34. J. C. Pàmies, C. McCabe, P. T. Cummings, and L. F. Vega, “Comparison of Gibbs Ensemble Monte Carlo and Quench Molecular Dynamics phase equilibrium results for short n-alkane chains”, XI Congreso de Física Estadística FisEs, Tarragona, May 23rd – 25th 2002.

  35. C. McCabe, Y. V. Kalyuzhnyi and P. T. Cummings, “Thermodynamic Properties of Freely-Jointed Hard-Sphere Multi-Yukawa Chain Fluids: Theory and Simulation”, 6th Liblice Conference on the Statistical Mechanics of Liquids, Spindleruv Mlyn, Czech Republic, June 12th 2002 .

  36. C. McCabe, A. Galindo and P. T. Cummings, “Anomalies in the Solubility of Alkanes in Near Critical Water,” 16th European Conference on Thermophysical Properties, Imperial College, London, September 2nd 2002.

  37. C. McCabe, P. T. Cummings, S. Bair and C. W. Manke, “Characterizing the High Pressure Behaviour of Lubricant Basestocks Using High Performance Parallel Supercomputers,” 16th European Conference on Thermophysical Properties, Imperial College, London, September 3rd 2002.

  38. C. McCabe, A. Galindo and P. T. Cummings, “Anomalies in the Solubility of Alkanes in Near Critical Water,” 9th Asian Pacific Confederation of Chemical Engineering Congress, ChristChurch, New Zealand, 30th September 2002.

  39. S. Bair, C. McCabe, P. T. Cummings, “Calculation of EHL Traction for a Model Hydrocarbon Using Molecular Simulation and Rheometry, ” 2nd ASIATRIB International Conference, Cheju Island, Korea, October 22nd 2002.

  40. H-C. Li, C. McCabe and P. T. Cummings, “Ab Initio Calculations on Tethered Polyhedral Oligomeric Silsesquioxanes,” AIChE Annual Meeting, Indianapolis, Indiana, November 4th 2002.

  41. H-C. Li, C. McCabe, S. T. Cui, P. T. Cummings and H. D. Cochran, “Development of a Force Field for Molecular Simulation of the Phase Equilibria of Perfluoroethers Ab Initio Calculations,” AIChE Annual Meeting, Indianapolis, Indiana, November 5th 2002.

  42. J. L. Rivera-Rojas, C. McCabe and P. T. Cummings, “Molecular Simulations of Liquid-Liquid Interfacial Properties: Water/n-Alkane and Water/n-Alkane/Methanol Systems,” AIChE Annual Meeting, Indianapolis, Indiana, November 6th 2002.

  43. J. L. Rivera-Rojas, C. McCabe and P. T. Cummings, “Molecular Simulation of the Sliding Behavior of Multiwall Carbon Nanotubes,” AIChE Annual Meeting, Indianapolis, Indiana, November 6th 2002.

  44. M.-J. Lee, C. McCabe and P. T. Cummings, “Equation of State for Square-Well Chain Molecules,” AIChE Annual Meeting, Indianapolis, Indiana, November 7th 2002.

  45. C. McCabe, A. Galindo and P. T. Cummings, “Anomalies in the Solubility of Alkanes in Near Critical Water,” AIChE Annual Meeting, Indianapolis, Indiana, November 7th 2002.

  46. C. McCabe, S. Kiselev, J. F. Ely, “Application of Crossover Theory to the SAFT-VR Equation of State,” AIChE Annual Meeting, Indianapolis, Indiana, November 8th 2002.

  47. J. L. Rivera-Rojas, C. McCabe and P. T. Cummings, “Molecular Modeling of the Oscillatory Damped Behavior in the Separation of Double-Wall Carbon Nanotubes,“ Pan-American Workshop on Molecular and Materials Sciences: Theoretical and Computational Aspects, Cuernavaca, México, February 17th - 19th 2003.

  48. C. McCabe, "Molecular Simulation of Rheological Processes", ACS National meeting, New Orleans, LA, 27th March 2003. Invited.

  49. C. McCabe, "Molecular Simulation of Rheological Processes: Application to Lubricant Basestocks", NCS 2003 - NREL Workshop on Computational Science in Materials Science, Chemistry and Biology, April 3rd 2003. Invited.
  50. T. Rignall, C. McCabe and M. E. Himmel, “Molecular Modeling of the T. Reesei CBH 1 Linker,” NCS 2003 - NREL Workshop on Computational Science in Material Science, Chemistry and Biology, April 3rd 2003.

  51. J. L. Rivera-Rojas, C. McCabe and P. T. Cummings, “Molecular Simulation of the Sliding Behavior of Double-Wall Carbon Nanotubes,” Thermodynamics 2003, Cambridge, England, April 11th 2003.

  52. T. Rignall, C. McCabe, D. Woods, J. W. Brady, and M. E. Himmel, “Molecular modeling of the T. reesei CBH I linker,” 25th Symposium on Biotechnology for Fuels and Chemicals, Breckenridge, CO, May 4th 2003.

  53. C. Skopec, J. W. Brady, T. Rignall, C. McCabe, and M. E. Himmel, “Computer Simulations of Water Structuring Adjacent to Microcrystalline Cellulose Ib Surfaces,” 25th Symposium on Biotechnology for Fuels and Chemicals, Breckenridge, CO, May 5th 2003.

  54. C. McCabe, “Accurate Modeling of Phase Equilibria Including the Critical Region Using a Molecular-Based Equation of State,” Molecular Thermodynamics and Molecular Simulation 03, Akiu, Sendai, Japan May 28th 2003. Invited.

  55. C. McCabe, "Molecular Simulation of Rheological Properties," MTMS Post Congress Symposium, Tokyo, Japan, May 31st 2003. Invited.

  56. C. McCabe, S. B. Kiselev, and J. F. Ely, “Molecular Modeling of Fluids Near to and Far from the Critical Region: Application of SAFT-VRX,” 15th Symposium of Thermophysical Properties, Boulder CO, June 25th 2003.

  57. T. Rignall, C. McCabe, C. Skopec, D. Woods, J. W. Brady, and M. E. Himmel, “Molecular Modeling of Cellulose Hydrolysis,” Foundations of Molecular Modeling and Simulation, Keystone Resort, Keystone, CO, July 6th-11th 2003.

  58. C. McCabe, S. B. Kiselev, and J. F. Ely, “SAFT-VRX Modeling of Fluids Near to and Far from the Critical Region,” Foundations of Molecular Modeling and Simulation, Keystone Resort, Keystone, CO, July 6th-11th 2003.

  59. H. Barkley, E. Chan, A. Cochran, T. Ionescu, C.-Y. Lee, F. Qi, C. Zhang, J. Zhou, M. Durandurdu, J.-S. Filhol, M. Lamm, H.-C. Li, P. T. Cummings, S. C. Glotzer, J. Kieffer, C. McCabe, M. Neurock, “Multiscale Simulation of the Synthesis, Assembly and Properties of Nanostructured Organic/Inorganic Hybrid Materials,” Foundations of Molecular Modeling and Simulation, Keystone Resort, Keystone, CO, July 6th-11th 2003.

  60. T. C. Ionescu, P. T. Cummings, A. Cochran, C. McCabe, F. Qi, M. Durandurdu, J. Kieffer, “Molecular simulation of polyhedral oligomeric silsesquioxane systems,” AIChE Annual Meeting, San Francisco, California, November 17th 2003.

  61. C. McCabe, S. B. Kiselev, and J. F. Ely, “Application of Crossover Theory to the SAFT-VR Equation of State: Bulk Properties and Surface Tension,” AIChE Annual Meeting, San Francisco, California, November 18th 2003.

  62. P. Morgado, H. Zhao, Y. Peng, C. McCabe, F. J. Blas, and E. J. M. Felipe, “An examination of the vapor-liquid phase behavior of perfluoroalkane-alkane diblock surfactants using the SAFT-VR approach,” AIChE Annual Meeting, San Francisco, California, November 19th 2003.

  63. H.-C. Li, C. McCabe, and P. T. Cummings, “Atomistic potential model developing for POSS,” AIChE Annual Meeting, San Francisco, California, November 21st 2003.

  64. J. L. Rivera-Rojas, C. McCabe and P. T. Cummings, “Molecular Modeling of the Oscillatory Damped Behavior in the Separation of Double-Wall Carbon Nanotubes,“ Pan-American Workshop on Molecular and Materials Sciences: Theoretical and Computational Aspects, Cuernavaca, México, February 17th - 19th 2003.

  65. T. Rignall, C. McCabe and M. E. Himmel, “Molecular Modeling of the T. Reesei CBH 1 Linker,” NCS 2003 - NREL Workshop on Computational Science in Material Science, Chemistry and Biology, April 3rd 2003.

  66. J. L. Rivera-Rojas, C. McCabe and P. T. Cummings, “Molecular Simulation of the Sliding Behavior of Double-Wall Carbon Nanotubes,” Thermodynamics 2003, Cambridge, England, April 11th 2003.

  67. T. Rignall, C. McCabe, D. Woods, J. W. Brady, and M. E. Himmel, “Molecular modeling of the T. reesei CBH I linker,” 25th Symposium on Biotechnology for Fuels and Chemicals, Breckenridge, CO, May 4th 2003.

  68. C. Skopec, J. W. Brady, T. Rignall, C. McCabe, and M. E. Himmel, “Computer Simulations of Water Structuring Adjacent to Microcrystalline Cellulose IB Surfaces,” 25th Symposium on Biotechnology for Fuels and Chemicals, Breckenridge, CO, May 5th 2003.

  69. C. McCabe, S. B. Kiselev, and J. F. Ely, “Molecular Modeling of Fluids Near to and Far from the Critical Region: Application of SAFT-VRX,” 15th Symposium of Thermophysical Properties, Boulder CO, June 25th 2003.

  70. T. Rignall, C. McCabe, C. Skopec, D. Woods, J. W. Brady, and M. E. Himmel, “Molecular Modeling of Cellulose Hydrolysis,” Foundations of Molecular Modeling and Simulation, Keystone Resort, Keystone, CO, July 6th-11th 2003.

  71. C. McCabe, S. B. Kiselev, and J. F. Ely, “SAFT-VRX Modeling of Fluids Near to and Far from the Critical Region,” Foundations of Molecular Modeling and Simulation, Keystone Resort, Keystone, CO, July 6th-11th 2003.

  72. H. Barkley, E. Chan, A. Cochran, T. Ionescu, C.-Y. Lee, F. Qi, C. Zhang, J. Zhou, M. Durandurdu, J.-S. Filhol, M. Lamm, H.-C. Li, P. T. Cummings, S. C. Glotzer, J. Kieffer, C. McCabe, M. Neurock, “Multiscale Simulation of the Synthesis, Assembly and Properties of Nanostructured Organic/Inorganic Hybrid Materials,” Foundations of Molecular Modeling and Simulation, Keystone Resort, Keystone, CO, July 6th-11th 2003.

  73. T. C. Ionescu, P. T. Cummings, H. Barkley, A. Cochran, C. McCabe, F. Qi, M. Durandurdu, J. Kieffer, “Molecular simulation of polyhedral oligomeric silsesquioxane systems,” AIChE Annual Meeting, San Francisco, California, November 17th 2003.

  74. C. McCabe, S. B. Kiselev, and J. F. Ely, “Application of Crossover Theory to the SAFT-VR Equation of State: Bulk Properties and Surface Tension,” AIChE Annual Meeting, San Francisco, California, November 7th 2003.

  75. H.-C. Li, C. McCabe, and P. T. Cummings, “Atomistic potential model developing for POSS,” AIChE Annual Meeting, San Francisco, California, November 7th 2003.

  76. P. Morgado C. McCabe, F. J. Blas, E. J. M. Felipe, “An examination of the vapor-liquid phase behavior of perfluoroalkane-alkane diblock surfactants using the SAFT-VR approach,” AIChE Annual Meeting, San Francisco, California, November 21st 2003.

  77. C. McCabe, “Molecular Modeling of Fluids Near to and Far from the Critical Region,” CERC3 Workshop on Neoteric Solvents as Reaction Media: Reality and Future, St. Malo, France, April 17th 2004. Invited.

  78. C. McCabe, S. B. Kiselev, L. Sun and H. Zhao, “Predicting the Thermodynamic Properties and Surface Tension of Fluids using the SAFT-VRX Equation of State,” Tenth International Conference on Properties and Phase Equilibria for Product and Process Design, Snowbird, Utah, May 17th 2004.

  79. C. McCabe, A. Galindo and P. T. Cummings, “On the Infinite Dilution Properties of n-Alkanes in Near Critical Water and their Relation to Phase Equilibria,” Tenth International Conference on Properties and Phase Equilibria for Product and Process Design, Snowbird, Utah, May 18th 2004.

  80. P. Morgado, H. Zhao, C. McCabe, F. J. Blas, and E. J. M. Felipe, “An Examination of the Vapor-Liquid Phase Behavior of Perfluoroalkane-Alkane Diblock Surfactants: Theory and Experiment,” Tenth International Conference on Properties and Phase Equilibria for Product and Process Design, Snowbird, Utah, May 18th 2004.

  81. H. Zhao, L. Sun, S. B. Kiselev, and C. McCabe, “Predicting the Thermodynamic Properties of Fluids using the SAFT-VRX Equation of State,” ACS-PRF Summer School on Green Chemistry, Carnegie Mellon University, Pittsburgh, PA, July 31 - August 7, 2004.

  82. C. McCabe, "Molecular Modeling of the Hydrated T. reesei Linker Peptide", 2nd NREL Computational Sciences Workshop - Computational Biology: Focus on Hydrogen, Biomass, and Nanoscience, September 10th 2004. Invited.

  83. T. Rignall, C. McCabe and M. E. Himmel, “Molecular Modeling of the Hydrated T. reesei Cel7A Linker Peptide,” AIChE Annual Meeting, Austin, Texas, November 11th 2004.

  84. G. Pan and C. McCabe, “Predicting the Shear Viscosity of n-Alkanes to Low Shear Rates,” AIChE Annual Meeting, Austin, Texas, November 11th 2004.

  85. C. McCabe, L. Sun, H. Zhao and S. B. Kiselev, “Mixture Phase Equilibria and Critical Behavior of Alkanes and CO2 using the SAFT-VRX Equation,” AIChE Annual Meeting, Austin, Texas, November 8th 2004.

  86. C. McCabe, H. Barkley, T. Ionescu, A. Striolo and P. T. Cummings, “Molecular Simulations for Mono-Substituted Polyhedral Oligomeric Sislesquioxanes either Pure or Dissolved in Water and in Normal Hexane,” AIChE Annual Meeting, Austin, Texas, November 8th 2004.

  87. A. Striolo, P. T. Cummings and C. McCabe, “Thermodynamic and Transport Properties of Polyhedral Oligomeric Sislesquioxanes in Hexadecane and in Poly(Dimethyl Siloxane),” AIChE Annual Meeting, Austin, Texas, November 8th 2004.

  88. C. McCabe, “Multiscale Simulation of the Nano-Scale Assembly of Hybrid Materials,” Annual meeting of AIChE, Austin, TX, November 9th 2004. Invited.

  89. 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).

  90. 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.

  91. 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.

  92. 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.

  93. 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.

  94. 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.

  95. 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.

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

  97. 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.

  98. 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.

  99. 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.

  100. 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.

  101. 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.

  102. 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.

  103. 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.

  104. 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.

  105. 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.

  106. 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.

  107. 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.

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

  109. 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.

  110. 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.

  111. 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.

  112. 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.

  113. 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.

  114. 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.

  115. 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.

  116. 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.

  117. 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.

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

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

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

  121. 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.

  122. 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.

  123. 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)

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

  125. 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.

  126. 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.

  127. 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.

  128. 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.

  129. 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.

  130. 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.

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

  132. 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.

  133. 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.

  134. 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

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

  136. 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)

  137. 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.

  138. 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.

  139. 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.

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

  141. 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.

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

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

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

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

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

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

  149. 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.

  150. 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.

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

  152. 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)

  153. 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.

  154. 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.

  155. 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.

  156. 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.

  157. 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.

  158. 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.

  159. 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.

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

  161. 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.

  162. 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.

  163. 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.

  164. 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.

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

  166. 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.

  167. 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.

  168. 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.

  169. 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.

  170. 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.

  171. 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.

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

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

  174. 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.

  175. 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)

  176. 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)

  177. 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.

  178. 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.

  179. 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.

  180. 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.

  181. 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.

  182. 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.

  183. 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.

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

  185. C. B. Taylor, X. Zhao, C. McCabe, W. S. Adney and M. E. Himmel, “Role of Cel7A Linker in Enzymatic Hydrolysis of Cellulose: A Molecular Simulation Study,” Mardi Gras Conference 2010: Computational Materials and Methods, Cook Conference Center, Louisiana State University, Baton Rouge, LA, February 12th 2010. (Poster award - resulting in oral presentation).

  186. C. McCabe, “Molecular modeling of fluids: From molecular simulation and molecular theory to engineering systems,” Mardi Gras Conference 2010: Computational Materials and Methods, Cook Conference Center, Louisiana State University, Baton Rouge, LA, February 12th 2010. Invited.

  187. C. McCabe, “Developing Coarse-Grained Models for the Molecular Simulation of the Self Assembly of Skin Lipids,” 12th International Conference on Properties and Phase Equilibria for Product and Process Design (PPEPPD), Suzhou, Jiangsu, China, May 18th 2010. Plenary.

  188. M. C. dos Ramos, Y. Peng, K. D. Goff, J. D. Haley, C. McCabe, “Developing Predictive Tools for Modeling Complex Fluids within a SAFT-Based Approach,” 12th International Conference on Properties and Phase Equilibria for Product and Process Design (PPEPPD), Suzhou, Jiangsu, China, May 20th 2010.

  189. K. R. Hadley, S. Guo and C. McCabe, “Molecular Simulation of the Self-assembly of Fatty Acids and Cholesterol into Bilayer Structures,” 12th International Conference on Properties and Phase Equilibria for Product and Process Design (PPEPPD), Suzhou, Jiangsu, China, May 20th 2010.

  190. J. B. Lewis, J. L. Rivera, S. Vilt, G K. Jennings and C. McCabe, “On the Investigation of Frictional Properties in Pure and Mixed Fluorocarbon/Hydrocarbon Monolayers,” Midwest Thermodynamics and Statistical Mechanics meeting, University of Notre dame, South Bend, IN, June 2nd 2010.

  191. C. McCabe, “Molecular Modeling of Complex Fluids Using a SAFT Based Approach,” Midwest Thermodynamics and Statistical Mechanics meeting, University of Notre Dame, South Bend, IN, June 3rd 2010. Invited.

  192. L. A. Strickland and C. McCabe, “On Oligomer Adsorption in Cylindrical Pores from Discontinuous Molecular Dynamics Simulation, Midwest Thermodynamics and Statistical Mechanics meeting, University of Notre dame, South Bend, IN, June 2nd 2010.

  193. S. G. Vilt, N. Martin, C. McCabe, and G. K. Jennings, “Characterizing Rolling Friction at the Microscale,” 84th ACS Colloid and Surface Science Symposium, University of Akron, Akron, OH, June 20th 2010.

  194. S. G. Vilt, B. J. Lewis, C. McCabe, and G. K. Jennings, “Characterization of Surface and Frictional Properties of Two-Component Alkylsilane Monolayers on Silicon,” 84th ACS Colloid and Surface Science Symposium, University of Akron, Akron, OH, June 22nd 2010.

  195. C. McCabe, “Developing Coarse-Grained Models for the Molecular Simulation of the Self Assembly of Skin Lipids,” Pennsylvania State University, State College, June 22nd 2010.

  196. B. Booth, S. G. Vilt, C. McCabe and G. K. Jennings, “Frictional Performance and Tribological Durability of Monolayer Films,” 84th ACS Colloid and Surface Science Symposium, University of Akron, Akron, OH, June 23rd 2010.

  197. C. McCabe, “Developing Coarse-Grained Models for the Molecular Simulation of the Self Assembly of Skin Lipids,” SciDAC 2010 Conference, Chattanooga, TN, July 13th 2010. Invited.

  198. M. C. dos Ramos, Y. Peng, K. D. Goff, J. D. Haley, and C. McCabe, “GC-SAFT-VR: A predictive tool for the Fluid Phase Behavior of non-Associating, Associating and Polymer Systems,” 20 Years of the SAFT Equation: Recent Advances and Challenges, Barcelona, Spain, September 21st 2010.

  199. C. McCabe, “On the Development of SAFT Based Approaches for Modeling Charged and Polar Fluids,” 20 Years of the SAFT Equation: Recent Advances and Challenges, Barcelona, Spain, September 21st 2010. Invited.

  200. L. G. Martins, F. Blas, M. C. dos Ramos, C. McCabe and E. J. M. Filipe, “Solubility of xenon in n-alkanes and cycloalkanes,” 20 Years of the SAFT Equation: Recent Advances and Challenges, Barcelona, Spain, September 21st 2010.

  201. P. Morgado, H. Rodrigues, L. G. Martins, F. Blas, M. C. dos Ramos, C. McCabe and E. J. M. Filipe, “SAFT Modeling of Perfluoralkanes,” 20 Years of the SAFT Equation: Recent Advances and Challenges, Barcelona, Spain, September 21st 2010.

  202. C. McCabe, “Developing Coarse-Grained Models for the Molecular Simulation of the Self Assembly of Skin Lipids,” SUNY at Buffalo, Buffalo, NY, October 27th 2010.Invited.

  203. J. B. Lewis, S. G. Vilt, J. L. Rivera, G. K. Jennings and C. McCabe, “On the Investigation of Frictional Properties in Pure and Mixed Fluorocarbon/Hydrocarbon Monolayers,” AIChE Annual Conference, Salt Lake City, Utah, November 9th 2010.

  204. M. C. dos Ramos, and C. McCabe, “Examining the Thermodynamic Properties of Ionic Systems Using the SAFT-VR+DE Approach. From Simple Aqueous Electrolyte to Polar Mixed-Solvent Electrolyte Mixtures,” AIChE Annual Meeting, Salt Lake City, Utah, November 10th 2010.

  205. L. A. Strickland, S. Guo and C. McCabe, “Molecular Simulation of a Ceramide/Water Bilayer: On developing atomistic and coarse-grained models,” AIChE Annual Meeting, Salt Lake City, Utah, November 15th 2010.

  206. J. L. Rivera, G. K. Jennings and C. McCabe, “Frictional Forces in Mixed Hydrophobic-Hydrophilic Alkylsilane Monolayers”, 2nd Meeting on Molecular Simulations: From simple fluids to Chemical Reactions, Mexico City, Mexico, December 9, 2010.

  207. L. Gai, K. Maerzke, P. T. Cummings and C. McCabe, “Wang-Landau Monte Carlo simulation of Bilayer Formation in a 3D lattice model,” 24th Annual CSP Workshop, Athens, Georgia, February 21st 2011.

  208. M. F. Crowley, G. T. Beckham, L. Bu, Y. J. Bomble, J. F. Matthews, M. R. Nimlos, C. B. Taylor, C. McCabe, M. E. Himmel, W. S. Adney,  “Molecular-level mechanisms of enzymatic deconstruction of cellulose,” 33rd Symposium on Biotechnology for Fuels and Chemicals, Seattle, WA, May 5th 2011.

  209. J. L. Rivera, G. K. Jennings and C. McCabe, “Tribological Behavior of Silica Surfaces Covered with Monolayers of Alcoxy Chains”, Chemical Engineering Department, Universidad Michoacana de San Nicolas de Hidalgo, Michoacan, Mexico, June 2nd 2011.

  210. P. Morgado, H. Rodrigues, F. Blas, L. G. Martins, C. McCabe and E. J. M. Filipe, “Thermodynamics of Perfluoroalkylalkanes: liquid, surface and transport properties,” 25th European Symposium on Applied Thermodynamics, Saint Petersburg, Russia, June 24th-27th 2011.

  211. C. B. Taylor, C. McCabe, L. Bu, M. E. Himmel, M. F. Crowley, and G. T. Beckham, “The impact of O-glycosylation and aromatic-carbohydrate interactions on the binding affinity of a Family 1 carbohydrate-binding module,” 2011 Cellulosomes, Cellulases & Other Carbohydrate Modifying Enzymes Gordon Research Conference, Stonehill College, Easton, MA, July 24th-29th 2011.

  212. L. E. Taylor, C. B. Taylor, L. Bu, J. Baker, C. McCabe, W. S. Adney, M. F. Crowley, M. E. Himmel, “Combined computational and experimental investigations of Cel7A for understanding and activity improvements,” 2011 Cellulosomes, Cellulases & Other Carbohydrate Modifying Enzymes Gordon Research Conference, Stonehill College, Easton, MA, July 24th-29th 2011.

  213. C. McCabe, “Developing Coarse-Grained Models for the Molecular Simulation of the Self Assembly of Skin Lipids,” Coarse-Grained Methods and Self-Assembly, CECAM-USI, Lugano, Switzerland, July 27th 2011. Invited.

  214. S. Guo, L. A. Strickland, K. R. Hadley and C. McCabe, “Understanding the Self-Assembly of Skin Lipids,” 12th Gordon Research Conference on Barrier Function of Mammalian Skin, Waterville Valley Resort, Waterville NH, August 7th-12th 2011.

  215. G. T. Beckham, C. M. Payne, D. W. Sammond, C. B Taylor, L. Bu, M. R. Nimlos, C. McCabe, M. E. Himmel, W. S. Adney, and M. F. Crowley, “Elucidating protein-carbohydrate interactions in cellulase enzymes with molecular simulation,” 242nd ACS National Meeting & Exposition, Denver, Colorado, August 28th- September 1st 2011.

  216. C. McCabe, “Understanding the Self-Assembly of Skin Lipids,” New Mexico State University, Las Cruces, NM, September 9th 2011. Invited.

  217. C. McCabe, “Elucidating protein-carbohydrate interactions in cellulase enzymes with molecular simulation,” National Institute for Computational Sciences Workshop on Modeling Advanced Materials, Systems Biology and Alternative Energy: Building Capabilities and Collaborations for Cyber-Enabled Discovery, University of Tennessee, Knoxville, TN, October 11th 2011. Invited.

  218. C. McCabe, “Evolving the SAFT-VR Equation of State into a General Modeling Platform for Complex Fluids,” Session in honor of Jan Sengers, AIChE Annual Meeting, Minneapolis MN, October 18th 2011. Invited.

  219. G. K. Jennings, S G. Vilt, C. Caswell and C. McCabe, “Effect of Surface Topography and Superhydrophobicity On Friction,” AIChE annual meeting, Minneapolis, MN, October 18th 2011.

  220. K. A. Maerzke, L. Gai, P. T. Cummings, and C. McCabe, “Wang-Landau simulations for self-assembling systems,” AIChE Annual Meeting, Minneapolis, MN, October 17th 2011.

  221. C. B. Taylor, M. F. Talib, C. McCabe, L. Bu, W. S. Adney, M. E. Himmel, M. F. Crowley, and G. T. Beckham,  “Computational Investigation of Glycosylation Effects on a Family 1 Carbohydrate-binding Module,” AIChE Annual Meeting, Minneapolis, MN, October 18th 2011.

  222. C. McCabe, “Evolving the SAFT-VR Equation of State Into a General Modeling Platform for Complex Fluids,” AIChE Annual Meeting, Minneapolis, MN, October 18th 2011.

  223. S. Hlushak, C. McCabe and P. T. Cummings, “Fourier Space Based Approach to Classical Density Functional Theory,” AIChE Annual Meeting, Minneapolis, MN, October 20th 2011.

  224. M. C. dos Ramos and C. McCabe, “Predicting the Thermodynamic Properties of Mixed Solvent Electrolytes Using the SAFT-VR+DE Approach,” AIChE Annual Meeting, Minneapolis, MN, October 20th 2011.

  225. S. Guo, L. A. Strickland and C. McCabe, “On the Development of Coarse-Grained Models for Skin Lipids,” AIChE Annual Meeting, Minneapolis, MN, October 21st 2011.

  226. C. McCabe, “Molecular modeling of fluids: From molecular simulation and molecular theory to engineering systems,” The 9th International Conference on Separation Science and Technology, JeJu, Korea, October 22nd -29th 2011. Plenary.

  227. C. McCabe, “On the Development of SAFT Based Approaches for Modeling Charged and Polar Fluids,” 6th Sino-US Joint Chemical Engineering Conference, Beijing, China, November 7th – 10th 2011. Invited.

  228. C. McCabe, “Novel Lubrication Schemes for Silicon-Based Microelectromechanical Devices,” University of Melbourne, Melbourne, Australia, November 25th 2011. Invited.

  229. C. McCabe, “Accurate Modeling of the Thermodynamics of Electrolytes using the SAFT-VR+DE,” Royal Society of Chemistry Workshop on Electrolytes, Imperial College, London, January 6th 2012. Invited.

  230. L. Gai, K. Maerzke, P. T. Cummings and C. McCabe, “A Wang-Landau Study of Bilayer Formation,” 25th Annual CSP Workshop, Athens, Georgia, February 20th 2012.

  231. C. B. Taylor, M. F. Talib, C. McCabe, M. E. Himmel, M. F. Crowley, and G. T. Beckham, “A simulation study on the impact of glycosylation patterns on a Family 1 carbohydrate-binding module’s relative binding affinity,” 34th Symposium on Biotechnology for Fuels and Chemicals, New Orleans, LA, April 30th 2012.

  232. G. T. Beckham, L. Bu, C. M. Payne, C. B. Taylor, D. W. Sammond, M. Nimlos, C. McCabe, Y. Lin, J-W. Chu, C. J. Dibble, M. E. Himmel and M. F. Crowley,” 34th Symposium on Biotechnology for Fuels and Chemicals, New Orleans, LA, Understanding fungal cellulases with molecular simulation,” May 2nd 2012.

  233. G. Das, M. C. dos Ramos and C. McCabe, “Phase Behavior of Aromatic Molecules and their Mixtures Using the GC-SAFT-VR Equation of State,” 18th Symposium on Thermophysical Properties, boulder, CO, June 25th 2012.

  234. K. Maerzke, L. Gai, P. T. Cummings and C. McCabe, “Wang-Landau Simulations for Self-Assembling Systems,” 18th Symposium on Thermophysical Properties, Boulder, CO, June 27th 2012.

  235. S. Guo and C. McCabe, “Molecular Dynamics Simulations of the Self-Assembly of Skin Lipids,” Foundations of Molecular Modeling and Simulation (FOMMS 2012), The Resort at the Mountain, Mt. Hood, OR, July 22nd – 26th 2012.

  236. L. Gai, K. Maerzke, P. T. Cummings and C. McCabe, “A Wang-Landau Study of Bilayer Formation,” Foundations of Molecular Modeling and Simulation (FOMMS 2012), The Resort at the Mountain, Mt. Hood, OR, July 22nd – 26th 2012.
  237. J. D. Haley and C. McCabe, “Predicting the Phase Behavior of Fluorinated Systems Using the GC-SAFT-VR Equation of State” CCP5 Methods in Molecular Simulations Summer School, University of Cardiff, Cardiff, UK, July 21st – 31st, 2012.

  238. R. D. Chirico1, M. Frenkel, J. W. Magee, V. V. Diky, K. Kroenlein, C. D. Muzny, A. F. Kazakov, I. M. Abdulagatov, G. R. Hardin, T. W. de Loos, J. P. O’Connell, C. McCabe, J. F. Brennecke, P. M. Mathias, A. R. H. Goodwin, J. Wu, K. N. Marsh, R. D. Weir, W. E. Acree, Jr., A. Pádua, W. M Haynes, D. G. Friend, A. Mandelis, V. Rives, C. Schick, S. Vyazovkin, and E. Chen, “NIST-Journal Cooperation to Improve the Quality of Published Experimental Data: New On-line Tools and IUPAC Recommendations,” ICCT 2012, Búzios, Brazil, August 5th - 10th 2012.

  239. G. T. Beckham, L. Bu, C. J. Dibble, S. Kim, C. M. Payne, M. G. Resch, D. W. Sammond, C. B. Taylor, M. E. Himmel, C. McCabe, M. F. Crowley, “Understanding fungal glycosyl hydrolases and oxidative enzymes with simulation and experiment,” 62nd Annual Meeting of the Society for Industrial Microbiology and Biotechnology, Washington, DC, August 15th 2012. Invited.

  240. S. Guo and C. McCabe, “On the Self-Assembly of Skin Lipids Using Coarse-Grained Molecular Dynamics Simulation,” American Institute of Chemical Engineers Annual Meeting, Pittsburgh, PA, October 29th 2012.

  241. L. Gai, K. A. Maerzke, C. R. Iacovella, P. T. Cummings and C. McCabe, “Lipid Self Assembly by Statistical Temperature Monte Carlo and Molecular Dynamics,” American Institute of Chemical Engineers Annual Meeting, Pittsburgh, PA, October 30th 2012.

  242. S. Hlushak, C. McCabe, P. T. Cummings, “Accurate and robust classical density functional theory for the adsorption of fluids into nanoporous materials”, American Institute of Chemical Engineers Annual Meeting, Pittsburgh, PA, October 31st 2012.

  243. L. A. Mitchell, B. J. Schindler, M. C. dos Ramos, C. McCabe, P. T. Cummings and M. D. LeVan, “Using SAFT-FMT-DFT to Model the Adsorption of Light Gases and Hydrocarbons in Activated Carbon,” American Institute of Chemical Engineers Annual Meeting, Pittsburgh, PA, October 31st 2012.

  244. G. Das, J. D. Haley and C McCabe, “Predicting the Phase Behavior of Fluids with Multiple Polar Groups Using the GC-SAFT-VR Equation of State” American Institute of Chemical Engineers Annual Meeting, Pittsburgh, PA, October 31st 2012.

  245. L. Gai, K. Maerzke, C. R. Iacovella, P. Cummings, C. McCabe, “Examining the Phase Transition Behavior By Statistical Temperature Molecular Dynamics (STMD),” 26th Annual Workshop on Simulational Physics, University of Georgia, Athens, GA, 25th February 2013.

  246. J. D. Haley and C. McCabe, “Predicting the Phase Behavior of Fluorinated Complex Systems Using the GC-SAFT-VR Equation of State,” NSBE National Conference, Indianapolis, Indiana, 30th March 2013.

  247. R. D. Chirico, M. Frenkel, J. W. Magee, V. V. Diky, K. Kroenlein, C. D. Muzny, A. F. Kazakov, I. M. Abdulagatov, G. R. Hardin, T. W. de Loos, J. P. O'Connell, C. McCabe, J. F. Brennecke, P. M. Mathias, A. R. H. Goodwin, J. T. Wu, K. N. Marsh, R. D. Weir, W. E. Acree, A. Padua, W. M. Haynes, D. G. Friend, A. Mandelis, V. Rives, C. Schick, S. Vyazovkin, and E. Chen, “NIST-journal cooperation to improve the quality of published experimental data: Pre-acceptance evaluation and on-line tools,” American Chemical Society, Spring Meeting, New Orleans, LA, April 8th 2013.

  248. C. McCabe, “Developing Coarse-Grained Models for the Molecular Simulation of the Self Assembly of Skin Lipids,” Department of Chemical Engineering, University of Michigan, Ann Arbor, Michigan, May 1st 2013. Invited.

  249. G. Das, J. D. Haley and C. McCabe, “Modeling of complex fluids using the GC-SAFT-VR based equation of state,” 13th International Conference on Properties and Phase Equilibria for Product and Process Design (PPEPPD), Iguazu Falls, Argentina, Brazil, 27th May 2013.

  250. C. McCabe, “Lubrication Schemes for Silicon-Based Microelectromechanical Devices,” Advances in Non-equilibrium Simulation, Imperial College, June 26th 2013. Invited.

  251. A. Z. Summers, J. B. Lewis, J. Black, C. Klein, C. R. Iacovella, P. T. Cummings and C. McCabe, “Development of an Integrated Molecular Design Environment for Lubrication Systems (iMoDELS),” CCP5 Methods in Molecular Simulations Summer School, University of Manchester, Manchester, UK, July 21st – 30th, 2013.

  252. C. McCabe, “Wang-Landau simulations for self-assembling systems,” VII Brazilian Meeting on Simulational Physics, Joao Pessoa, Brazil, August 6th 2013. Invited.

  253. T. Moore, S. Guo, C. R. Iacovella, and C. McCabe, “Understanding the Molecular Interactions of Skin Lipids from Molecular Dynamics Simulation,” 13th Gordon Research Conference on Barrier Function of Mammalian Skin, Waterville Valley Resort, Waterville NH, August 18th-23rd 2013.

  254. P. Morgado, G. Das, C. McCabe, and E. Filipe, “Interactions between Perfluoroalkylalkanes and Water: Solubilities and Interfacial Tensions,” Thermodynamics 2013, University of Manchester. Manchester, UK, September 5th 2013.

  255. T. Moore, S. Guo, C. Iacovella, and C. McCabe, “Coarse-grained Potential Derivation With Multi-State Iterative Boltzmann Inversion,” Aachen Conference on Computational Engineering Science, RWTH Aachen University, 10th September 2013. 1ST Place in conference poster competition.

  256. C. McCabe, “Understanding the Self-Assembly of Skin Lipids,” Aachen Conference on Computational Engineering Science, RWTH Aachen University, September 11th 2013. Invited.

  257. J. D. Haley, M. C. dos Ramos, and C. McCabe, “Predicting the Phase Behavior of Fluorinated Complex Systems Using the GC-SAFT-VR Equation of State,” AIChE Annual meeting, San Francisco CA, November 4th 2013.

  258. S. Mukherjee, J. D. Haley, C. R. Iacovella, C. McCabe, and P. T. Cummings, “Calculation of the Vapor-Liquid Phase Coexistence of Polymer-Grafted Nanoparticles,” AIChE Annual meeting, San Francisco CA, November 4th 2013.

  259. C. R. Iacovella, S. Guo, T. Moore, and C. McCabe, “A Comparative Study of GROMOS- and CHARMM-Based Force Fields for the Simulation of Non-Hydroxy Ceramide Bilayers,” AIChE Annual meeting, San Francisco CA, November 5th 2013.

  260. L. Gai, C. R. Iacovella, P. Cummings, C. McCabe, “Study of Phase Transitions By 2-D Density of States Simulation,” AIChE Annual meeting, San Francisco CA, November 5th 2013.

  261. J. Black, C. R. Iacovella, C. McCabe and P. T. Cummings, “Reactive Molecular Dynamics Study of Alkylsilane Monolayers On Realistic Amorphous Silica Substrates,” AIChE Annual meeting, San Francisco CA, November 5th 2013.

  262. S. Hlushak, C. McCabe, P. T. Cummings, “An Improved Classical Density Functional Theory for the Description of Adsorption Thermodynamics”, AIChE Annual meeting, San Francisco CA, November 7th 2013.