| Fluorine Environment in Bioactive Glasses: ab Initio Molecular Dynamics Simulations JK Christie, A Pedone, MC Menziani, A Tilocca The journal of physical chemistry B 115 (9), 2038-2045, 2011 | 90 | 2011 |
| Bioactive glasses as potential radioisotope vectors for in situ cancer therapy: investigating the structural effects of yttrium JK Christie, J Malik, A Tilocca Physical Chemistry Chemical Physics 13 (39), 17749-17755, 2011 | 75 | 2011 |
| Investigating structural features which control the dissolution of bioactive phosphate glasses: Beyond the network connectivity JK Christie, RI Ainsworth, NH de Leeuw Journal of Non-Crystalline Solids 432, 31-34, 2016 | 62 | 2016 |
| Aluminosilicate glasses as yttrium vectors for in situ radiotherapy: understanding composition-durability effects through molecular dynamics simulations JK Christie, A Tilocca Chemistry of Materials 22 (12), 3725-3734, 2010 | 61 | 2010 |
| Ab initio molecular dynamics simulations of structural changes associated with the incorporation of fluorine in bioactive phosphate glasses JK Christie, RI Ainsworth, NH de Leeuw Biomaterials 35 (24), 6164-6171, 2014 | 49 | 2014 |
| Nanoscale chains control the solubility of phosphate glasses for biomedical applications JK Christie, RI Ainsworth, D Di Tommaso, NH de Leeuw The Journal of Physical Chemistry B 117 (36), 10652-10657, 2013 | 49 | 2013 |
| Polarizable force field development and molecular dynamics study of phosphate-based glasses RI Ainsworth, DD Tommaso, JK Christie, NH de Leeuw The Journal of chemical physics 137 (23), 2012 | 49 | 2012 |
| Multi-layer scaffolds of poly (Caprolactone), poly (glycerol sebacate) and bioactive glasses manufactured by combined 3d printing and electrospinning ABR Touré, E Mele, JK Christie Nanomaterials 10 (4), 626, 2020 | 46 | 2020 |
| Integrating biological activity into radioisotope vectors: molecular dynamics models of yttrium-doped bioactive glasses JK Christie, A Tilocca Journal of Materials Chemistry 22 (24), 12023-12031, 2012 | 41 | 2012 |
| Polarizable interatomic force field for TiO 2 parametrized using density functional theory XJ Han, L Bergqvist, PH Dederichs, H Müller-Krumbhaar, JK Christie, ... Physical Review B 81 (13), 134108, 2010 | 35 | 2010 |
| Molecular dynamics simulations and structural descriptors of radioisotope glass vectors for in situ radiotherapy JK Christie, A Tilocca The Journal of Physical Chemistry B 116 (41), 12614-12620, 2012 | 32 | 2012 |
| Short‐Range Structure of Yttrium Alumino‐Silicate Glass for Cancer Radiotherapy: Car–Parrinello Molecular Dynamics Simulations JK Christie, A Tilocca Advanced Engineering Materials 12 (7), B326-B330, 2010 | 32 | 2010 |
| Properties of water confined in hydroxyapatite nanopores as derived from molecular dynamics simulations TT Pham, T Lemaire, E Capiez-Lernout, M Lewerenz, QD To, JK Christie, ... Theoretical Chemistry Accounts 134, 1-14, 2015 | 27 | 2015 |
| Effect of strontium inclusion on the bioactivity of phosphate-based glasses JK Christie, NH de Leeuw Journal of Materials Science 52, 9014-9022, 2017 | 26 | 2017 |
| Structures and properties of phosphate-based bioactive glasses from computer simulation: a review JK Christie, RI Ainsworth, SER Hernandez, NH de Leeuw Journal of materials chemistry B 5 (27), 5297-5306, 2017 | 23 | 2017 |
| Atomic structure of Mg-based metallic glasses from molecular dynamics and neutron diffraction A Gulenko, LF Chungong, J Gao, I Todd, AC Hannon, RA Martin, ... Physical Chemistry Chemical Physics 19 (12), 8504-8515, 2017 | 23 | 2017 |
| Vibrational behavior of a realistic amorphous-silicon model JK Christie, SN Taraskin, SR Elliott Journal of non-crystalline solids 353 (22-23), 2272-2279, 2007 | 23 | 2007 |
| Atomic structure of biodegradable Mg-based bulk metallic glass JK Christie Physical Chemistry Chemical Physics 17 (19), 12894-12898, 2015 | 16 | 2015 |
| Structural characteristics of positionally disordered lattices: Relation to the first sharp diffraction peak in glasses JK Christie, SN Taraskin, SR Elliott Physical Review B 70 (13), 134207, 2004 | 15 | 2004 |
| On the structure of biomedical silver-doped phosphate-based glasses from molecular dynamics simulations RI Ainsworth, JK Christie, NH de Leeuw Physical Chemistry Chemical Physics 16 (39), 21135-21143, 2014 | 12 | 2014 |
