Computational Nanomaterials Group

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  1. 1.Surfactant induced forces between carbon nanotubes, Panagiotis Angelikopoulos, Keith Schou, and Henry Bock,Phys. Chem. Chem. Phys ( 2010).


  1. 2.Dispersing Individual Single-Wall Carbon Nanotubes in Aqueous Surfactant Solutions Below the CMC,P. Angelikopoulos, Gromov A, Leen A.,  Nerushev O.,  Bock H. and  Campbell E.B. E The Journal of Physical Chemistry (C) 114(1):2–9 ( 2010).


  1. 3.The differences in surfactant adsorption on carbon nanotubes and their bundles, P. Angelikopoulos and H.Bock, Langmuir asap (2009).


  1. 4.Structural forces from directed self-assembly, P Angelikopoulos, S. Al Harthy and H. Bock, Henry, J. Phys. Chem. B 113 (42), 13817 (2009).


  1. 5.Directed Self-Assembly of Surfactants in Carbon Nanotube Materials , P. Angelikopoulos and H. Bock, J. Phys. Chem. 112 (44), 13793 (2008).


  1. 6.Models of Porous Carbons, H. Bock, J. Pikunic and K.E. Gubbins, in Adsorption by Carbons, ed. J.M.D. Tascon, Elsevier Pub. Co., Amsterdam (2008).


  1. 7.Coarse-Graining of non-bonded degrees of freedom, H. Bock, K.E. Gubbins and S.H.L. Klapp, Phys. Rev. Lett., 98 (26), 267801 (2007).


  1. 8.Anisotropic self-diffusion in nanofluidic structures, H. Bock, K.E. Gubbins and M. Schoen, J.Phys. Chem. 111 (43), 15493 (2007).


  1. 9.Crossover from normal to inverse temperature dependence in the adsorption of nonionic surfactants at hydrophilic surfaces and pore walls. O. Dietsch, A. Eltekov, H. Bock,  K.E. Gubbins and G.H. Findenegg, J.Phys. Chem. 111 (43), 16045 (2007).


  1. 10.Mesoscale modeling of complex binary fluid mixtures. Towards an atomistic foundation of effective potentials, J.R. Silbermann, S.H.L. Klapp, M. Schoen, N. Chennamsetty, H. Bock, and K.E. Gubbins, J. Chem. Phys., 124 (7), 074105 (2006).


  1. 11.Solid/solid phase transitions in confined thin films: A zero temperature approach, H. Bock, K.E. Gubbins, and G. Ayappa, J. Chem. Phys. 122 (9), 094709 (2005).


  1. 12.The effect of alcohol additives on self-assembly of surfactants in supercritical carbon dioxide, Naresh Chennamsetty, H. Bock, L.F. Scanu, F.R. Siperstein, and K.E. Gubbins, J. Chem. Phys. 122 (9), 094710 (2005).


  1. 13.Coarse-grained potentials from Widom's particle insertion method, N. Chennamsetty, H. Bock, and K.E. Gubbins, Mol. Phys. 103 (21-23), 3185 (2005)


  1. 14.Pure Fluids Confined by Chemically Nanostructured Solid Surfaces. Mean-field Theory versus Monte Carlo Simulations, J. Sommerfeld, H. Bock, and M. Schoen, in Statistical physics and beyond : 2nd Mexican Meeting on Mathematical and Experimental Physics, México City, México, 6-10 September, 2004, ed. F. Uribe; L. García-Colín Scherer; E. Diaz, IOP (2005).


  1. 15.Anomalous temperature dependence of surfactant self-assembly from aqueous solution, H. Bock and K.E. Gubbins, Phys. Rev. Lett. 92, 135701 (2004).

Publications