Selected Publications

1. J. C. Palmer and P. G. Debenedetti,

   “Recent Advances in Molecular Simulation: A Chemical Engineering Perspective,” AIChE Journal, 61, 370-383 [DOI]

   , 2015
2. S. B. Kim, J. C. Palmer and P. G. Debenedetti,

   “A Computational Study of the Effect of Matrix Structural Order on Water Sorption by Trp-Cage Miniproteins,” Journal of Physical Chemistry B, 119, 1847-185 [DOI]

   , 2015
3. J. C. Palmer, F. Martelli, Y. Liu, R. Car, A. Z. Panagiotopoulos and P. G. Debenedetti,

   “Metastable Liquid-Liquid Transition in a Molecular Model of Water,” Nature, 510, 385-388 [DOI]

   , 2014
4. V. Holten, J. C. Palmer, P. H. Poole. P. G. Debenedetti and M. A. Anisimov,

   “Two-State Thermodynamic Model of the ST2 Model for Supercooled Water,” Journal of Chemical Physics, 140, 104502 [DOI]

   , 2014
5. J. C. Palmer, R. Car and P. G. Debenedetti,

   “The Liquid-Liquid Transition in Supercooled ST2 Water:  A Comparison Between Umbrella Sampling and Well-Tempered Metadynamics,” Faraday Discussion, 167, 77-94 [DOI]

   , 2013
6. S. O. Diallo, M. Jażdżewska, J. C. Palmer, E. Mamontov, K. E. Gubbins and M. Śliwińska-Bartkowiak,

   “Dynamics of Nanoconfined Water Under Pressure,” Physical Review E, 88, 022316 [DOI]

   , 2013
7. Y. Long, J. C. Palmer, B. Coasne, M. M Śliwinska-Bartkowiak, G. Jackson, E. A. Müller and K. E. Gubbins,

   “On the Molecular Origin of High-Pressure Effects in Nanoconfinement: The Role of Surface Chemistry and Roughness,” Journal of Chemical Physics, 139, 144701[DOI]

   , 2013
8. J. C. Palmer and K. E. Gubbins,

   “Atomistic Models for Disordered Nanoporous Carbons Using Reactive Force Fields,” Microporous and Mesoporous Materials, 154, 24-37 [DOI]

   , 2012
9. J. C. Palmer and P. G. Debenedetti,

   “Computer Simulation of Water Sorption on Flexible Protein Crystals,” Journal of Physical Chemistry Letters, 3, 2713-2718 [DOI]

   , 2012
10. K. A. Phillips, J. C. Palmer and K. E. Gubbins,

    “Analysis of the Solvation Structure of Rubidium Bromide under Nanoconfinement,” Molecular Simulation, 38, 1209-1220 [DOI]

    , 2012
11. M. Sliwinska-Bartkowiak, H. Drozdowski, M. Kempinski, M. Jazdzewska, Y. Long, J. C. Palmer, and K. E. Gubbins,

    “Structural Analysis of Water and Carbon Tetrachloride Adsorbed in Activated Carbon Fibres,” Physical Chemistry Chemical Physics, 14, 7145-7153 [DOI]

    , 2012
12. Y. Liu, J. C. Palmer, A. Z. Panagiotopoulos and P. G. Debenedetti,

    “Liquid-Liquid Transition in ST2 Water,” Journal of Chemical Physics, 137, 214505 [DOI]

    , 2012
13. Y. Long, J. C. Palmer, B. Coasne, M. Sliwinska-Bartkowiak and K. E. Gubbins,

    “Under Pressure: Quasi-High Pressure Effects in Nanopores,” Microporous and Mesoporous Materials, 154, 19-23 [DOI]

    , 2012
14. Y. Long, M. Śliwińska-Bartkowiak, H. Drozdowski, M. Kempiński, K. A. Phillips, J. C Palmer and K. E. Gubbins,

    “High Pressure Effect In Nanoporous Carbon Materials: Effects of Pore Geometry,” Colloids and Surfaces A, 437, 33-41 [DOI]

    , 2012
15. J. C. Palmer, J. D. Moore, J. K. Brennan and K. E. Gubbins,

    “Simulating Local Adsorption Isotherms in Models of Complex Porous Materials: A Direct Assessment of the Slit Pore Model,” Journal of Physical Chemistry Letters, 2, 165-169 [DOI]

    , 2011
16. J. C. Palmer, J. D. Moore, J. K. Brennan and K. E. Gubbins,

    “Adsorption and Diffusion of Argon in Disordered Nanoporous Carbons,” Adsorption, 17, 189-199 [DOI]

    , 2011
17. J. C. Palmer, J. D. Moore, T. J. Roussel, J. K. Brennan and K. E. Gubbins,

    “Adsorptive Behavior of CO2, CH4 and Their Mixtures in Carbon Nanospace: A Molecular Simulation Study,” Physical Chemistry Chemical Physics, 13, 3985-3996 [DOI]

    , 2011
18. K. E. Gubbins, Y-C Liu, J. D. Moore and J. C. Palmer,

    “The Role of Molecular Modeling in Confined Systems: Impacts and Prospects,” Physical Chemistry Chemical Physics, 13, 58-85 [DOI]

    , 2011
19. Y. Long, J. C. Palmer, B. Coasne, M. Sliwinska-Bartkowiak and K. E. Gubbins,

    “Pressure Enhancement in Nanopores: A Major Confinement Effect,” Physical Chemistry Chemical Physics, 13, 17163-17170 [DOI]

    , 2011
20. J. C. Palmer, A. Llobet, S-H Yeon, J. E. Fischer, Y. Shi, Y. Gogotsi and K. E. Gubbins,

    “Modeling the Structural Evolution of Carbide-Derived Carbons Using Quenched Molecular Dynamics,” Carbon, 48, 1116-1123 [DOI]

    , 2010
21. J. D. Moore, J. C. Palmer, Y-C Liu, T. J. Roussel, J. K. Brennan and K. E. Gubbins,

    “Adsorption and Diffusion of Argon Confined in Ordered and Disordered Microporous Carbons,” Applied Surface Science, 256, pp. 5131-5136 [DOI]

    , 2010
22. J. C. Palmer, J. K. Brennan, M. M. Hurley, A. Balboa and K. E. Gubbins,

    “Detailed Structural Models for Activated Carbons from Molecular Simulation,” Carbon, 47, 2904-2913 [DOI]

    , 2009
23. J. C. Palmer, S. K. Jain, K. E. Gubbins, J. E. Fischer, R. Dash and Y. Gogotsi,

    “Hybrid Reverse Monte Carlo Simulations of Microporous Carbons,”, In: S. Kaskel, P. Llewellyn, F. Rodriguez-Reinoso and N. Seaton, eds., Characterization of Porous Solids VIII: Proceedings of the 8th International Symposium on the Characterization of Porous Solids, Cambridge: RSC, 56-63

    , 2008