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Researchers at UCD

Nicholas Quirke

Visiting Professor

School Of Physics
Engineering Building
Belfield
Dublin 4

Tel: +353 1 7161869
Email: nick.quirke@ucd.ie

Publications

 

Book Chapters

Sweatman,M., Quirke,N.,; (2005) 'Modelling gas adsorption in amorphous nanoporous materials' In: Rieth,M., Schommers,W (eds). Handbook of theoretical and computational nanotechnology. Stevenson Ranch, California: American Scientific Publishers. [Details]
 

Peer Reviewed Journals

Sokhan, V. P., Quirke, N., ; (2008) 'Slip coefficient in nanoscale pore flow'. Physical Review E, 78 (1). [Details]
Quirke N, Longhurst MJ, ; (2007) 'Temperature-driven pumping of fluid through single-walled carbon nanotubes'. Nano Letters, 7 (11):3324-3328. [DOI] [Details]
Quirke N, Schneemilch M, ; (2007) 'Effect of oxidation on the wettability of poly(dimethylsiloxane) surfaces'. Chemical Physics, 127 (11). [DOI] [Details]
Quirke N, Longhurst MJ, ; (2007) 'Pressure dependence of the radial breathing mode of carbon nanotubes: the effect of fluid adsorption'. Physical Review Letters, 98 (14). [Details]
Whitby, M.,Quirke, N.; (2007) 'Fluid flow in carbon nanotubes and nanopipes'. Nature Nanotechnology, 2 (2):87-94. Available Online [Details]
Quirke N, Longhurst MJ, ; (2006) 'The environmental effect on the radial breathing mode of carbon nanotubes. II. Shell model approximation for internally and externally adsorbed fluids'. Chemical Physics, 125 (18). [DOI] [Details]
Quirke N, Longhurst MJ, ; (2006) 'The environmental effect on the radial breathing mode of carbon nanotubes in water'. Chemical Physics, 124 (23). [DOI] [Details]
Sweatman, M. B.,Quirke, N.,Zhu, W.,Kapteijn, R.; (2006) 'Analysis of gas adsorption in Kureha active carbon based on the slit-pore model and Monte-Carlo simulations'. Molecular Simulation, 32 (7):513-522. Available Online [Details]
Ward, A. D.,Longhurst, M.,Quirke, N.; (2006) 'The optical trapping of airborne hydrocarbon droplets from an oil mist'. Journal of Experimental Nanoscience, 1 (1):75-82. Available Online [Details]
Quirke N, Sweatman MB, ; (2005) 'Gas adsorption in active carbons and the slit-pore model 2: Mixture adsorption prediction with DFT and IAST'. Journal of Physical Chemistry B, 109 (20):10389-10394. [DOI] [Details]
Longhurst, M. J.,Quirke, N.; (2005) 'The radial breathing mode of carbon nanotubes'. Molecular Simulation, 31 (2-3):135-141. Available Online [Details]
Sweatman, M. B.,Quirke, N.; (2005) 'Modelling gas mixture adsorption in active carbons'. Molecular Simulation, 31 (9):667-681. Available Online [Details]
Quirke N, Sweatman MB, ; (2005) 'Gas adsorption in active carbons and the slit-pore model 1: Pure gas adsorption'. Journal of Physical Chemistry B, 109 (20):10381-10388. [DOI] [Details]
Supple, S.,Quirke, N.; (2005) 'Molecular dynamics of transient oil flows in nanopores. II. Density profiles and molecular structure for decane in carbon nanotubes'. Journal of Chemical Physics, 122 (10). Available Online [Details]
Sweatman, M. B.,Quirke, N.; (2005) 'Gas adsorption in active carbons and the slit-pore model 1: Pure gas adsorption'. Journal of Physical Chemistry B, 109 (20):10381-10388. Available Online [Details]
Quirke, N.,Parkinson, G.,Evans, D.,Gubbins, K. E.,Cummings, P.,Fuchs, A.,Chan, K. Y.,Kaneko, K.,Snook, I.,Todd, B.,Schulte, J.; (2005) 'Pacific Rim Conference on Nanoscience'. Molecular Simulation, 31 (6-7):385-388. Available Online [Details]
Sokhan, V. P.,Quirke, N.,Greenwood, J.; (2005) 'Viscous drag forces in gas operated pressure balances'. Molecular Simulation, 31 (6-7):535-542. Available Online [Details]
Quirke N, Sokhan VP, Nicholson D, ; (2004) 'Transport properties of nitrogen in single walled carbon nanotubes'. Chemical Physics, 120 (8):3855-3863. [DOI] [Details]
Henderson JR, Schneemilch M, Quirke N, ; (2004) 'Wetting of nanopatterned surfaces: the hexagonal disk surface'. Chemical Physics, 120 (6):2901-2912. [DOI] [Details]
Quirke N, Cubero D, ; (2004) 'Computer simulations of localized small polarons in amorphous polyethylene'. Chemical Physics, 120 (16):7772-7778. [DOI] [Details]
Sweatman, M. B.,Quirke, N.; (2004) 'Simulating fluid-solid equilibrium with the Gibbs ensemble'. Molecular Simulation, 30 (1):23-28. Available Online [Details]
Sokhan, V. P.,Quirke, N.; (2004) 'Interfacial friction and collective diffusion in nanopores'. Molecular Simulation, 30 (4):217-224. Available Online [Details]
Supple, S.,Quirke, N.; (2004) 'Molecular dynamics of transient oil flows in nanopores I: Imbibition speeds for single wall carbon nanotubes'. Journal of Chemical Physics, 121 (17):8571-8579. Available Online [Details]
Sokhan, V. P.,Nicholson, D.,Quirke, N.; (2004) 'Transport properties of nitrogen in single walled carbon nanotubes'. Journal of Chemical Physics, 120 (8):3855-3863. Available Online [Details]
Schneemilch, M.,Quirke, N.,Henderson, J. R.; (2004) 'Wetting of nanopatterned surfaces: The hexagonal disk surface'. Journal of Chemical Physics, 120 (6):2901-2912. Available Online [Details]
Cubero, D.,Quirke, N.; (2004) 'Computer simulations of localized small polarons in amorphous polyethylene'. Journal of Chemical Physics, 120 (16):7772-7778. Available Online [Details]
Quirke N, Supple S, ; (2004) 'Molecular dynamics of transient oil flows in nanopores I: Imbibition speeds for single wall carbon nanotubes'. Chemical Physics, 121 (17):8571-8579. [DOI] [Details]
Cubero, D.,Quirke, N.,Coker, D. F.; (2003) 'Electronic states for excess electrons in polyethylene compared to long-chain alkanes'. Chemical Physics Letters, 370 (1-2):21-25. Available Online [Details]
Cubero, D.,Quirke, N.,Coker, D. F.; (2003) 'Electronic transport in disordered n-alkanes: From fluid methane to amorphous polyethylene'. Journal of Chemical Physics, 119 (5):2669-2679. Available Online [Details]
Schneemilch, M.,Quirke, N.; (2003) 'The interaction of fluids with nanomaterials: Contact angles at nanopatterned interfaces'. Molecular Simulation, 29 (10-11):685-695. Available Online [Details]
Supple, S.,Quirke, N.; (2003) 'Rapid imbibition of fluids in carbon nanotubes'. Physical Review Letters, 90 (21). Available Online [Details]
Supple, S.,Quirke, N.; (2003) 'Short range united atom potentials for alkanes: Decane and nonane'. Molecular Simulation, 29 (2):77-82. Available Online [Details]
Nicholson, D.,Quirke, N.; (2003) 'Ion pairing in confined electrolytes'. Molecular Simulation, 29 (4):287-290. Available Online [Details]
Schneemilch, M.,Quirke, N.,Henderson, J. R.; (2003) 'Wetting of nanopatterned surfaces: The striped surface'. Journal of Chemical Physics, 118 (2):816-829. Available Online [Details]
Quirke N, Supple S, ; (2003) 'Rapid imbibition of fluids in carbon nanotubes'. Physical Review Letters, 90 (21). [Details]
Powell, C.,Fenwick, N.,Bresme, F.,Quirke, N.; (2002) 'Wetting of nanoparticles and nanoparticle arrays'. Colloids and Surfaces a-Physicochemical and Engineering Aspects, 206 (1-3):241-251. Available Online [Details]
Sweatman, M. B.,Quirke, N.; (2002) 'Predicting the adsorption of gas mixtures: Adsorbed solution theory versus classical density functional theory'. Langmuir, 18 (26):10443-10454. Available Online [Details]
Sokhan, V. P.,Nicholson, D.,Quirke, N.; (2002) 'Fluid flow in nanopores: Accurate boundary conditions for carbon nanotubes'. Journal of Chemical Physics, 117 (18):8531-8539. Available Online [Details]
Anta, J. A.,Nelson, J.,Quirke, N.; (2002) 'Charge transport model for disordered materials: Application to sensitized TiO2'. Physical Review B, 65 (12). Available Online [Details]
Anta, J. A.,Marcelli, G.,Meunier, M.,Quirke, N.; (2002) 'Models of electron trapping and transport in polyethylene: Current-voltage characteristics'. Journal of Applied Physics, 92 (2):1002-1008. Available Online [Details]
Teyssedre, G.,Laurent, C.,Aslanides, A.,Quirke, N.,Dissado, L. A.,Montanari, G. C.,Campus, A.,Martinotto, L.; (2001) 'Deep trapping centers in crosslinked polyethylene investigated by molecular modeling and luminescence techniques'. Ieee Transactions on Dielectrics and Electrical Insulation, 8 (5):744-752. Available Online [Details]
Sweatman, M. B.,Quirke, N.; (2001) 'Modelling gas adsorption in slit-pores using Monte Carlo simulation'. Molecular Simulation, 27 (5-6):295-321. Available Online [Details]
Quirke, N.; (2001) 'Molecular modelling and simulation: Tools for the modern era'. Molecular Simulation, 26 (1):1-+. Available Online [Details]
Quirke, N.; (2001) 'Special issue - The statistical mechanics of adsorption: A festschrift in honour of Dr. David Nicholson'. Molecular Simulation, 27 (5-6):267-268. Available Online [Details]
Sweatman, M. B.,Quirke, N.; (2001) 'Characterization of porous materials by gas adsorption: Comparison of nitrogen at 77 K and carbon dioxide at 298 K for activated carbon'. Langmuir, 17 (16):5011-5020. Available Online [Details]
Sweatman, M. B.,Quirke, N.; (2001) 'Characterization of porous materials by gas adsorption at ambient temperatures and high pressure'. Journal of Physical Chemistry B, 105 (7):1403-1411. Available Online [Details]
Sokhan, V. P.,Nicholson, D.,Quirke, N.; (2001) 'Fluid flow in nanopores: An examination of hydrodynamic boundary conditions'. Journal of Chemical Physics, 115 (8):3878-3887. Available Online [Details]
Meunier, M.,Quirke, N.,Aslanides, A.; (2001) 'Molecular modeling of electron traps in polymer insulators: Chemical defects and impurities'. Journal of Chemical Physics, 115 (6):2876-2881. Available Online [Details]
Fenwick, N. I. D.,Bresme, F.,Quirke, N.; (2001) 'Computer simulation of a Langmuir trough experiment carried out on a nanoparticulate array'. Journal of Chemical Physics, 114 (16):7274-7282. Available Online [Details]
Nicholson, D.,Quirke, N.; (2000) 'The role of isosteric enthalpy of adsorption in micropore characterisation: A simulation study'. Characterization of Porous Solids V, 128 :11-20. Available Online [Details]
Meunier, M.,Quirke, N.; (2000) 'Molecular modeling of electron trapping in polymer insulators'. Journal of Chemical Physics, 113 (1):369-376. Available Online [Details]
Bresme, F.,Quirke, N.; (2000) 'Computer simulation studies of liquid lenses at a liquid-liquid interface'. Journal of Chemical Physics, 112 (13):5985-5990. Available Online [Details]
Kluson, P.,Scaife, S.,Quirke, N.; (2000) 'The design of microporous graphitic adsorbents for selective separation of gases'. Separation and Purification Technology, 20 (1):15-24. Available Online [Details]
Quirke, N.; (2000) 'Proceedings of the Virtual Conference - Applications and methodology of molecular simulation in the physical and biological sciences - 19 April 4 May, 1999 Part IV of IV'. Molecular Simulation, 25 (3-4):V-Vi. Available Online [Details]
Quirke, N.; (2000) 'Proceedings of the Virtual Conference - Applications and Methodology of Molecular Simulation in the Physical and Biological Sciences - 19 April 4 May, 1999 - Part III of IV'. Molecular Simulation, 25 (1-2):V-Vi. Available Online [Details]
Quirke, N.; (2000) 'Proceedings of the Virtual Conference - Applications and Methodology of Molecular Simulation in the Physical and Biological Sciences - 19 April 4 May, 1999 - Part II of IV'. Molecular Simulation, 24 (4-6):V-Vi. Available Online [Details]
Quirke, N.; (2000) 'Special Issue - Proceedings of the Virtual Conference - Applications and Methodology of Molecular Simulation in the Physical and Biological Sciences - 19 April 4 May, 1999 - Part I of IV'. Molecular Simulation, 24 (1-3):V-Vi. Available Online [Details]
Aveyard, R.,Clint, J. H.,Nees, D.,Quirke, N.; (2000) 'Structure and collapse of particle monolayers under lateral pressure at the octane/aqueous surfactant solution interface'. Langmuir, 16 (23):8820-8828. Available Online [Details]
Scaife, S.,Kluson, P.,Quirke, N.; (2000) 'Characterization of porous materials by gas adsorption: Do different molecular probes give different pore structures?'. Journal of Physical Chemistry B, 104 (2):313-318. Available Online [Details]
Sokhan, V. P.,Nicholson, D.,Quirke, N.; (2000) 'Phonon spectra in model carbon nanotubes'. Journal of Chemical Physics, 113 (5):2007-2015. Available Online [Details]
Bresme, F.,Quirke, N.; (1999) 'Computer simulation of wetting and drying of spherical particulates at a liquid-vapor interface'. Journal of Chemical Physics, 110 (7):3536-3547. Available Online [Details]
Bresme, F.,Quirke, N.; (1999) 'Nanoparticulates at liquid liquid interfaces'. Physical Chemistry Chemical Physics, 1 (9):2149-2155. Available Online [Details]
Meunier, M.,Quirke, N.,Binesti, D.; (1999) 'The calculation of the electron affinity of atoms and molecules'. Molecular Simulation, 23 (2):109-125. Available Online [Details]
Quirke, N.,Bresme, F.; (1998) 'Simulation of colloidal particles at interfaces'. Abstracts of Papers of the American Chemical Society, 216 :U604-U604. Available Online [Details]
Bresme, F.,Quirke, N.; (1998) 'Computer simulation study of the wetting behavior and line tensions of nanometer size particulates at a liquid-vapor interface'. Physical Review Letters, 80 (17):3791-3794. Available Online [Details]
Turner, A. R.,Quirke, N.; (1998) 'A grand canonical Monte Carlo study of adsorption on graphitic surfaces with defects'. Carbon, 36 (10):1439-1446. Available Online [Details]
Quirke, N.; (1997) 'Molecular modelling of colloidal systems'. Current Opinion in Colloid & Interface Science, 2 (3):321-325. Available Online [Details]
Quirke, N.; (1997) 'Industrial applications of modelling'. Abstracts of Papers of the American Chemical Society, 213 :173-COMP. Available Online [Details]
Quirke, N.; (1997) 'CD ROM special issue'. Molecular Simulation, 19 (5-6):U1-U1. Available Online [Details]
Maddox, M. W.,Quirke, N.,Gubbins, K. E.; (1997) 'A molecular simulation study of pore networking effects'. Molecular Simulation, 19 (5-6):267-283. Available Online [Details]
Lastoskie, C. M.,Quirke, N.,Gubbins, K. E.; (1997) 'Structure of porous adsorbents: Analysis using density functional theory and molecular simulation'. Equilibria and Dynamics of Gas Adsorption on Heterogeneous Solid Surfaces, 104 :745-775. Available Online [Details]
Quirke, N.,Tennison, S. R. R.; (1996) 'The interpretation of pore size distributions of microporous carbons'. Carbon, 34 (10):1281-1286. Available Online [Details]
Katagiri, M.,Tanaka, M.,Takaba, H.,Miyamoto, A.,Nozue, Y.,Terasaki, O.,Quirke, N.,Newsam, J. M.; (1996) 'Role of density fluctuations in the solvation structure in supercritical dilute solutions: A molecular dynamics study'. Fluid Phase Equilibria, 125 (1-2):1-11. Available Online [Details]
Quirke, N.; (1996) 'Predict fluid phase equilibria using molecular simulation'. Chemical Engineering Progress, 92 (2):65-71. Available Online [Details]
Nicholson, D.,Cracknell, R.,Quirke, N.; (1996) 'A transition in the diffusivity of adsorbed fluids through micropores'. Langmuir, 12 (16):4050-4052. Available Online [Details]
Callaway, M. J.,Tildesley, D. J.,Quirke, N.; (1996) 'Molecular dynamics simulation of a Langmuir-Blodgett patch'. Molecular Simulation, 18 (5):277-&. Available Online [Details]
Fuchs, A.,Quirke, N.; (1996) 'Adsorption, phase transitions and transport in porous materials'. Molecular Simulation, 17 (4-6):197-197. Available Online [Details]
Quirke, N.; (1996) 'Some recent developments in computational chemistry'. Molecular Simulation, 16 (1-3):193-&. Available Online [Details]
Quirke N, Cracknell RF, Nicholson D, ; (1995) 'Direct molecular dynamics simulation of flow down a chemical potential gradient in a slit-shaped micropore'. Physical Review Letters, 74 (13):2463-2466. [Details]
Cracknell, R. F.,Nicholson, D.,Quirke, N.; (1995) 'Direct Molecular-Dynamics Simulation of Flow down a Chemical-Potential Gradient in a Slit-Shaped Micropore'. Physical Review Letters, 74 (13):2463-2466. Available Online [Details]
Lastoskie, C.,Gubbins, K. E.,Quirke, N.; (1994) 'Pore-Size Distribution Analysis and Networking - Studies of Microporous Sorbents'. Characterization of Porous Solids Iii, 87 :51-60. Available Online [Details]
Cracknell, R. F.,Nicholson, D.,Quirke, N.; (1994) 'A Grand-Canonical Monte-Carlo Study of Lennard-Jones Mixtures in Slit Pores .2. Mixtures of 2 Center Ethane with Methane'. Molecular Simulation, 13 (3):161-175. Available Online [Details]
Kim, K. S.,Moller, M. A.,Tildesley, D. J.,Quirke, N.; (1994) 'Molecular-Dynamics Simulations of Langmuir-Blodgett Monolayers with Explicit Headgroup Interactions'. Molecular Simulation, 13 (2):77-99. Available Online [Details]
Kim, K. S.,Tildesley, D. J.,Quirke, N.; (1994) 'Molecular-Dynamics of Langmuir-Blodgett-Films .2. Bilayers'. Molecular Simulation, 13 (2):101-114. Available Online [Details]
Callaway, M.,Tildesley, D. J.,Quirke, N.; (1994) 'Reordering of Surface Phases during Atomic-Force Microscopy - a Simulation Study'. Langmuir, 10 (9):3350-3356. Available Online [Details]
Clint, J. H.,Quirke, N.; (1993) 'Contact Angles on Particles from Langmuir Trough Studies'. Colloids and Surfaces a-Physicochemical and Engineering Aspects, 78 :277-278. Available Online [Details]
Lastoskie, C.,Gubbins, K. E.,Quirke, N.; (1993) 'Pore-Size Distribution Analysis of Microporous Carbons - a Density-Functional Theory Approach'. Journal of Physical Chemistry, 97 (18):4786-4796. Available Online [Details]
Cracknell, R. F.,Nicholson, D.,Quirke, N.; (1993) 'A Grand-Canonical Monte-Carlo Study of Lennard-Jones Mixtures in Slit Shaped Pores'. Molecular Physics, 80 (4):885-897. Available Online [Details]
Lastoskie, C.,Gubbins, K. E.,Quirke, N.; (1993) 'Pore-Size Heterogeneity and the Carbon Slit Pore - a Density-Functional Theory Model'. Langmuir, 9 (10):2693-2702. Available Online [Details]
Aukett, P. N.,Quirke, N.,Riddiford, S.,Tennison, S. R.; (1992) 'Methane Adsorption on Microporous Carbons - a Comparison of Experiment, Theory, and Simulation'. Carbon, 30 (6):913-924. Available Online [Details]
Moller, M. A.,Tildesley, D. J.,Kim, K. S.,Quirke, N.; (1991) 'Molecular-Dynamics Simulation of a Langmuir-Blodgett-Film'. Journal of Chemical Physics, 94 (12):8390-8401. Available Online [Details]
Goodbody, S. J.,Watanabe, K.,Macgowan, D.,Walton, J. P. R. B.,Quirke, N.; (1991) 'Molecular Simulation of Methane and Butane in Silicalite'. Journal of the Chemical Society-Faraday Transactions, 87 (13):1951-1958. Available Online [Details]
Stapleton, M. R.,Tildesley, D. J.,Quirke, N.; (1990) 'Phase-Equilibria in Polydisperse Fluids'. Journal of Chemical Physics, 92 (7):4456-4467. Available Online [Details]
Seaton, N. A.,Walton, J. P. R. B.,Quirke, N.; (1989) 'A New Analysis Method for the Determination of the Pore-Size Distribution of Porous Carbons from Nitrogen Adsorption Measurements'. Carbon, 27 (6):853-861. Available Online [Details]
Bowles, R. J.,Tildesley, D. J.,Quirke, N.; (1989) 'Effective Spherical Potentials for Liquid Propane'. Journal of the Chemical Society-Faraday Transactions Ii, 85 :1505-1517. Available Online [Details]
Stapleton, M. R.,Tildesley, D. J.,Sluckin, T. J.,Quirke, N.; (1988) 'Computer-Simulation of Polydisperse Liquids with Density-Dependent and Temperature-Dependent Distributions'. Journal of Physical Chemistry, 92 (16):4788-4796. Available Online [Details]
Panagiotopoulos, A. Z.,Quirke, N.,Stapleton, M.,Tildesley, D. J.; (1988) 'Phase-Equilibria by Simulation in the Gibbs Ensemble - Alternative Derivation, Generalization and Application to Mixture and Membrane Equilibria'. Molecular Physics, 63 (4):527-545. Available Online [Details]
Fincham, D.,Quirke, N.,Tildesley, D. J.; (1987) 'Computer Modeling of Molecular Liquid-Mixtures .2. The Excess Properties of a Diatomic Lennard-Jones Model Mixture for Co2/C2h6'. Journal of Chemical Physics, 87 (10):6117-6119. Available Online [Details]
Walton, J. P. R. B.,Quirke, N.; (1986) 'Modeling the Phase-Behavior of a Fluid within a Pore'. Chemical Physics Letters, 129 (4):382-386. Available Online [Details]
Fincham, D.,Quirke, N.,Tildesley, D. J.; (1986) 'Computer-Simulation of Molecular Liquid-Mixtures .1. A Diatomic Lennard-Jones Model Mixture for Co2/C2h6'. Journal of Chemical Physics, 84 (8):4535-4546. Available Online [Details]
Quirke, N.; (1986) 'Molecular Simulation - Progress and Prospects'. Fluid Phase Equilibria, 29 :283-306. Available Online [Details]
Evans, R.,Fisher, M. E.,Widom, B.,Lyndenbell, R. M.,Phillips, P.,Oshea, S. F.,Thomas, R. K.,Morrison, J. A.,Nicholson, D.,Suzanne, J.,Chan, M. H. W.,Inaba, A.,Rowlinson, J. S.,Klein, M. L.,Vanswol, F.,Henderson, J. R.,Walton, J. P. R. B.,Allen, M. P.,Moldover, M. R.,Indekeu, J. O.,Willatt, A. J.,Robledo, A.,Dagama, M. M. T.,Thurtell, J. H.,Nordholm, S.,Pethica, B. A.,Knobler, C. M.,Earnshaw, J. C.,Marconi, U. M. B.,Quirke, N.,Gubbins, K. E.,Heinbuch, U.,Fischer, J.,Clift, N.,White, R. M.; (1986) 'Proceedings of Faraday Symposium 20 on Phase-Transitions in Adsorbed Layers - General Discussion'. Journal of the Chemical Society-Faraday Transactions Ii, 82 :1817-1869. Available Online [Details]
Chapman, W.,Quirke, N.; (1985) 'Metropolis Monte-Carlo Simulation of Fluids with Multiparticle Moves'. Physica B & C, 131 (1-3):34-40. Available Online [Details]
Quirke, N.,Sheng, P.; (1984) 'The Melting Behavior of Small Clusters of Atoms'. Chemical Physics Letters, 110 (1):63-66. Available Online [Details]
Deleeuw, S. W.,Quirke, N.; (1984) 'Dielectric Behavior and Multibody Orientational Correlations of Dipolar Molecular Liquids'. Journal of Chemical Physics, 81 (2):880-886. Available Online [Details]
Huang, J. S.,Safran, S. A.,Kim, M. W.,Grest, G. S.,Kotlarchyk, M.,Quirke, N.; (1984) 'Attractive Interactions in Micelles and Microemulsions'. Physical Review Letters, 53 (6):592-595. Available Online [Details]
Quirke, N.,Jacucci, G.; (1984) 'Free-Energies of Surface Steps in the Solid on Solid Model of Interfaces - the Large System Limit'. Surface Science, 144 (1):92-95. Available Online [Details]
Powles, J. G.,Quirke, N.; (1984) 'Fractal Geometry and Brownian-Motion - a New Parameter to Describe Molecular-Motion'. Physical Review Letters, 52 (18):1571-1574. Available Online [Details]
Kohler, F.,Quirke, N.; (1983) 'Effects of Molecular Anisotropy'. Advances in Chemistry Series, (204):209-234. Available Online [Details]
Quirke, N.,Tildesley, D.; (1983) 'Perturbation Theories of Diatomic Fluids'. Journal of Physical Chemistry, 87 (11):1972-1978. Available Online [Details]
Jacucci, G.,Quirke, N.; (1983) 'Step Free-Energies in the Solid-on-Solid Model'. Physics Letters A, 98 (5-6):269-272. Available Online [Details]
Quirke, N.,Jacucci, G.; (1983) 'Step Free-Energies and the Roughening Transition in the Solid on Solid Model of Interfaces'. Journal of Metals, 35 (8):A14-A14. Available Online [Details]
Jacucci, G.,Quirke, N.; (1982) 'Free-Energy Calculations for Crystals'. Lecture Notes in Physics, 166 :38-57. Available Online [Details]
Powles, J. G.,Evans, W. A. B.,Quirke, N.; (1982) 'Non-Destructive Molecular-Dynamics Simulation of the Chemical-Potential of a Fluid'. Molecular Physics, 46 (6):1347-1370. Available Online [Details]
Quirke, N.,Tildesley, D. J.; (1982) 'Site Superposition Approximations for Molecular Liquids'. Molecular Physics, 45 (4):811-821. Available Online [Details]
Quirke, N.,Jacucci, G.; (1982) 'Energy Difference Functions in Monte-Carlo Simulations - Application to (1) the Calculation of the Free-Energy of Liquid-Nitrogen, (2) the Fluctuation of Monte-Carlo Averages'. Molecular Physics, 45 (4):823-838. Available Online [Details]
Deleeuw, S. W.,Perram, J. W.,Quirke, N.,Smith, E. R.; (1981) 'Perturbation-Theory for the Dielectric-Constant'. Molecular Physics, 42 (5):1197-1203. Available Online [Details]
Jacucci, G.,Quirke, N.; (1980) 'Monte-Carlo Calculation of the Free-Energy Difference between Hard and Soft Core Diatomic Liquids'. Molecular Physics, 40 (4):1005-1009. Available Online [Details]
Quirke, N.,Perram, J. W.,Jacucci, G.; (1980) 'Perturbation-Theory for the 2-Center Lennard-Jones Fluid Using a Spherically Averaged Reference Potential'. Molecular Physics, 39 (6):1311-1325. Available Online [Details]
Jacucci, G.,Quirke, N.; (1980) 'Structural Correlation-Functions in the Coexistence Region from Molecular-Dynamics'. Nuovo Cimento Della Societa Italiana Di Fisica B-General Physics Relativity Astronomy and Mathematical Physics and Methods, 58 (2):317-322. Available Online [Details]
Kohler, F.,Quirke, N.,Perram, J. W.; (1979) 'Perturbation-Theory with a Hard Dumbbell Reference System .1. Application to Liquid-Nitrogen'. Journal of Chemical Physics, 71 (10):4128-4131. Available Online [Details]
Kohler, F.,Marius, W.,Quirke, N.,Perram, J. W.,Hoheisel, C.,Breitenfeldermanske, H.; (1979) 'Spherical Reference Systems for Hard Dumbells'. Molecular Physics, 38 (6):2057-2067. Available Online [Details]
Fischer, J.,Quirke, N.; (1979) 'Structure of Molecular Liquids Reference Systems with Spherical Interactions'. Molecular Physics, 38 (5):1703-1706. Available Online [Details]
Kohler, F.,Marius, W.,Quirke, N.,Perram, J. W.; (1979) 'Perturbation Calculations for Fluids with Non-Spherical Interaction'. Brennstoff-Warme-Kraft, 31 (1):34-34. Available Online [Details]
Richon, D.,Rowlinson, J. S.,Bellemans, A.,Chandler, D.,Smith, E. B.,Ryckaert, J. P.,Thompson, S. M.,Cruickshank, A. J. B.,Dickinson, E.,Gubbins, K. E.,Scott, R. L.,Quirke, N.,Smith, W. R.,Steele, W. A.,Tildesley, D. J.,Gray, C. G.,Zeidler, M. D.,Vantricht, J. B.,Tildesley, D. J.,Baughan, E. C.,Harris, K. R.,Alder, B. J.; (1978) 'Structure and Motion in Molecular Liquids - 13th, 14th and 15th September, 1978 - General Discussion'. Faraday Discussions, (66):160-183. Available Online [Details]
Quirke, N.,Perram, J. W.; (1977) 'Angular-Correlation Functions in Mean Spherical Model'. Chemical Physics, 26 (2):191-199. Available Online [Details]
Quirke, N.,Soper, A. K.; (1977) 'Neutron-Scattering from Nicl2/D2o - Hard-Sphere Approach'. Journal of Physics C-Solid State Physics, 10 (11):1803-1807. Available Online [Details]
                                                                                             

Research

Research Interests

Nanomaterials and Nanofluidics
Characterisation of Porous Materials
Molecular Simulation
Statistical Mechanics