Publications

[22] A new potential for radiation studies of borosilicate glass
A. Al-Harbi, K. Jolley, R. Smith, A. J. Archer, J. K. Christie
accepted, Nuclear Instruments and Methods in Physics Research B

[21] Bioactive sol–gel glasses at the atomic scale: the complementary use of advanced probe and computer modeling methods
J. K. Christie, A. N. Cormack, J. V. Hanna, R. A. Martin, R. J. Newport, D. M. Pickup, M. E. Smith
International Journal of Applied Glass Science 7, 147 (2016)

[20] Investigating structural features which control the dissolution of bioactive phosphate glasses: Beyond the network connectivity
J. K. Christie, R. I. Ainsworth and N. H. de Leeuw
Journal of Non-Crystalline Solids 432, 31 (2016)

[19] Atomic structure of biodegradable Mg-based bulk metallic glass
J. K. Christie
Physical Chemistry Chemical Physics 17, 12894 (2015)

[18] Properties of water confined in hydroxyapatite nanopores as derived from molecular dynamics simulations
T. T. Pham, T. Lemaire, E. Capiez-Lernout, M. Lewerenz, Q.-D. To, J. K. Christie, D. Di Tommaso, N. H. de Leeuw, S. Naili
Theoretical Chemistry Accounts 134, 59 (2015)

[17] On the structure of biomedical silver-doped phosphate-based glasses from molecular dynamics simulations
R. I. Ainsworth, J. K. Christie and N. H. de Leeuw
Physical Chemistry Chemical Physics 16, 21135 (2014)

[16] Ab initio molecular dynamics simulations of structural changes associated with the incorporation of fluorine in bioactive phosphate glasses
J. K. Christie, R. I. Ainsworth and N. H. de Leeuw
Biomaterials 35, 6164 (2014)

[15] Nanoscale chains control the solubility of phosphate glasses for biomedical applications
J. K. Christie, R. I. Ainsworth, D. Di Tommaso and N. H. de Leeuw
Journal of Physical Chemistry B 117, 10652 (2013)

[14] Polarizable force field development and molecular dynamics study
of phosphate-based glasses

R. I. Ainsworth, D. Di Tommaso, J. K. Christie and N. H. de Leeuw
Journal of Chemical Physics 137, 234502 (2012)

[13] Molecular dynamics simulations and structural descriptors of radioisotope glass vectors for in situ radiotherapy
J. K. Christie and A. Tilocca
Journal of Physical Chemistry B 116, 12614 (2012)

[12] Integrating biological activity into radioisotope vectors: molecular dynamics models of yttrium-doped bioactive glasses
J. K. Christie and A. Tilocca
Journal of Materials Chemistry 22, 12023 (2012)

[11] Bioactive glasses as potential radioisotope vectors for in situ cancer therapy: investigating the structural effects of yttrium
J. K. Christie, J. Malik and A. Tilocca
Physical Chemistry Chemical Physics 13, 17749 (2011)

[10] The fluorine environment in bioactive glasses: ab initio molecular dynamics simulations
J. K. Christie, A. Pedone, M. C. Menziani and A. Tilocca
Journal of Physical Chemistry B 115, 2038 (2011)

[9] Structural properties and phase transitions of a silica clathrate
Y. Liang, F. O. Ogundare, C. R. Miranda, J. K. Christie and S. Scandolo
Journal of Chemical Physics 134, 074506 (2011)

[8] Short-range structure of yttrium aluminosilicate glass for cancer radiotherapy: Car-Parrinello Molecular Dynamics calculations
J. K. Christie and A. Tilocca
Advanced Engineering Materials, 12, B326 (2010)

[7] Aluminosilicate glasses as yttrium vectors for in-situ radiotherapy:
understanding composition-durability effects through molecular dynamics simulations

J. K. Christie and A. Tilocca
Chemistry of Materials 22, 3725 (2010)

[6] A polarizable interatomic force field for TiO2 parametrized using density functional theory
X. J. Han, L. Bergqvist, P. H. Dederichs, H. Mueller-Krumbhaar, J. K. Christie, S. Scandolo and P. Tangney
Physical Review B 81, 134108 (2010), arXiv:0911.5311

[5] Vibrational behaviour of a realistic amorphous-silicon model
J. K. Christie, S. N. Taraskin and S. R. Elliott
Journal of Non-Crystalline Solids 353, 2272 (2007), cond-mat/0701170

[4] Modelling the atomic structure of very high-density amorphous ice
J. K. Christie, M. Guthrie, C. A. Tulk, C. J. Benmore, D. D. Klug, S. N. Taraskin and S. R. Elliott
Physical Review B 72, 012201 (2005) (Erratum: ibid. 73, 229902 (2006)), cond-mat/0412575

[3] Positional disorder in lattices: a model for the structural order responsible for the first sharp
diffraction peak in glasses

J. K. Christie, S. N. Taraskin and S. R. Elliott
Journal of Physics: Condensed Matter 16, S5109 (2004)

[2] Atomic vibrations in disordered systems: Comparison of disordered diamond lattices and a realistic amorphous silicon model
J. K. Christie, S. N. Taraskin and S. R. Elliott
physica status solidi c 1, 2904 (2004), cond-mat/0409217

[1] Structural characteristics of positionally-disordered lattices: relation to the first sharp diffraction peak in
glasses

J. K. Christie, S. N. Taraskin and S. R. Elliott
Physical Review B 70, 134207 (2004), cond-mat/0406248

Modelling the structural and vibrational properties of amorphous materials
J. K. Christie, PhD thesis, Cambridge University (2006)