Selected publications

Asymptotic evaluation of conditional probabilities

  1. Liu, M., Besford, Q. A., Mulvaney, T. & Gray-Weale, A.
    Order and correlation contributions to the entropy of hydrophobic solvation.
    The Journal of chemical physics 142, 114117 (2015).

  2. Gray-Weale, A. & Madden, P. A.
    Theoretical calculation of the structure of a polarizable-ionic fluid.
    Molecular Physics 101, 1761–1779 (2003).

  3. Liu, M., Beattie, J. K. & Gray-Weale, A.
    The surface relaxation of water.
    The Journal of Physical Chemistry B 116, 8981–8988 (2012).

  4. Gray-Weale, A. & Beattie, J. K.
    An explanation for the charge on water’s surface.
    Physical Chemistry Chemical Physics 11, 10994–11005 (2009).

Local conditional probabilities for electrochemical optimisation

  1. Liu, M., Masset, P. & Gray-Weale, A.
    Solubility of sodium in sodium chloride: A density functional theory molecular dynamics study.
    Journal of The Electrochemical Society 161, E3042 (2014).

Dynamical models described by conditional probabilities

  1. Gray-Weale, A. & Attard, P.
    Time correlations and the second entropy.
    The Journal of chemical physics 127, 044503 (2007).

  2. Attard, P. & Gray–Weale, A.
    Statistical mechanical theory for steady state systems. VIII. General theory for a brownian particle driven by a time-and space-varying force.
    The Journal of chemical physics 128, 114509 (2008).

Statistical descriptions of polymers

  1. Gray-Weale, A. & Gilbert, R. G.
    General description of the structure of branched polymers.
    Journal of Polymer Science Part A: Polymer Chemistry 47, 3914–3930 (2009).

  2. Konkolewicz, D., Gilbert, R. G. & Gray-Weale, A.
    Randomly hyperbranched polymers.
    Physical Review Letters 98, 238301 (2007).

Random processes in material science

  1. Gray-Weale, A. A., Henchman, R. H., Gilbert, R. G., Greenfield, M. L. & Theodorou, D. N.
    Transition-state theory model for the diffusion coefficients of small penetrants in glassy polymers.
    Macromolecules 30, 7296–7306 (1997).

  2. Gray-Weale, A. & Madden, P. A.
    The energy landscape of a fluorite-structured superionic conductor.
    The Journal of Physical Chemistry B 108, 6634–6642 (2004).

  3. Gray-Weale, A. & Madden, P. A.
    Dynamical arrest in superionic crystals and supercooled liquids.
    The Journal of Physical Chemistry B 108, 6624–6633 (2004).