Freeman, Colin L., Harding, John H., Quigley, David and Rodger, P. Mark. (2012) Protein binding on stepped calcite surfaces : simulations of ovocleidin-17 on calcite {31.16} and {31.8}. Physical Chemistry Chemical Physics, Vol.14 (No.20). pp. 7287-7295. ISSN 1463-9076

Raiteri, Paolo, Demichelis, Raffaella, Gale, Julian D., Kellermeier, Matthias, Gebauer, Denis, Quigley, David, Wright, Louise B. and Walsh, Tiffany R.. (2012) Exploring the influence of organic species on pre- and post-nucleation calcium carbonate. Faraday Discussions, Vol.159 . pp. 61-85. ISSN 0301-7249

Allen, Michael P., Quigley, David and Růžička, Štěpán. (2012) Folding kinetics of a polymer. Physical Chemistry Chemical Physics . ISSN 1463-9076 (In Press)

Demichelis, Raffaella, Raiteri, Paolo, Gale, Julian D., Quigley, D. and Gebauer, Denis. (2011) Stable prenucleation mineral clusters are liquid-like ionic polymers. Nature Communications, Vol.2 . Article no. 590. ISSN 2041-1723

Gale, Julian D., Demichelis, Raffaella, Raiteri, Paolo, Quigley, D. and Gebauer, Denis (2011) Nucleation of amorphous calcium carbonate : a combined theoretical and experimental perspective. In: 242nd National Meeting of the American-Chemical-Society (ACS), Denver, CO, 28 Aug - 1 Sep 2011. Published in: American Chemical Society. Abstracts of Papers (at the National Meeting), Vol.242 37-GEOC .

Godfrey, Jamie, Haddleton, David M., Raiteri, Paolo, Quigley, D. and Gebauer, Denis (2011) Towards synthesis of ultrahigh molecular weight copolymers containing hydrophobic and hydrophilic blocks by SET-LRP. In: 242nd National Meeting of the American-Chemical-Society (ACS), Denver, CO, 28 Aug - 1 Sep 2011. Published in: American Chemical Society. Abstracts of Papers (at the National Meeting), Vol.242 206-POLY .

Freeman, C. L., Harding, J. H., Quigley, D. and Rodger, P. Mark. (2011) Simulations of ovocleidin-17 binding to calcite surfaces and its implications for eggshell formation. The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, Vol.115 (No.16). pp. 8175-8183. ISSN 1932-7447

Quigley, David, Freeman, C. L., Harding, J. H. and Rodger, P. Mark. (2011) Sampling the structure of calcium carbonate nanoparticles with metadynamics. The Journal of Chemical Physics, Vol.134 (No.4). 044703. ISSN 0021-9606

Rodger, P. Mark, Quigley, D., Harding, J. H. and Freeman, C. L. (2010) Simulating crystal nucleation : seeing the infrequent with molecular dynamics. In: Conference on Goldschmidt 2010 - Earth, Energy, and the Environment, Knoxville, TN, 13-18 Jun 2010. Published in: Geochimica et Cosmochimica Acta, Vol.74 (No.12 Suppl. 1). A875-A875.

Raiteri, P., Gale, J. D., Quigley, D. and Rodger, P. Mark (2010) Towards accurate modeling of the growth and nucleation of carbonates. In: Conference on Goldschmidt 2010 - Earth, Energy, and the Environment, Knoxville, TN, 13-18 Jun 2010. Published in: Geochimica et Cosmochimica Acta, Vol.74 (No.12 Suppl. 1). A844-A844.

Raiteri, P., Gale, Julian D., Quigley, D. and Rodger, P. Mark. (2010) Derivation of an accurate force-field for simulating the growth of calcium carbonate from aqueous solution : a new model for the calcite-water interface. Journal of Physical Chemistry C, Vol.114 (No.13). pp. 5997-6010. ISSN 1932-7447

Freeman, C. L., Harding, J. H., Quigley, D. and Rodger, P. Mark. (2010) Structural control of crystal nuclei by an eggshell protein. Angewandte Chemie (International Edition), Vol.49 (No.30). pp. 5135-5137. ISSN 1433-7851

Quigley, D., Rodger, P. Mark, Freeman, C. L., Harding, J. H. and Duffy, D. M.. (2009) Metadynamics simulations of calcite crystallization on self-assembled monolayers. Journal of Chemical Physics, Vol.131 (No.9). article no. 094703 . ISSN 0021-9606

Duffy, D. M., Freeman, C. L., Harding, J. H., Quigley, D. and Rodger, P. Mark (2009) Modelling biomineralization processes. In: 19th Annual VM Goldschmidt Conference, Davos, Switzerland, June 21, 2009. Published in: Geochimica et Cosmochimica Acta, Vol.73 (13 Suppl. S). A311-A311.

Quigley, D. and Rodger, P. Mark. (2009) A metadynamics-based approach to sampling crystallisation events. Molecular Simulation, Vol.35 (No.7). pp. 613-623. ISSN 0892-7022

Harding, J. H., Duffy, D. M., Sushko, Maria L., Rodger, P. Mark, Quigley, D. and Elliott, J. A. (James A.) (2008) Computational techniques at the organic-inorganic interface in biomineralization. Chemical Reviews, Vol.108 (No.11). pp. 4823-4854. ISSN 0009-2665

Rodger, P. Mark, Hawtin, R. W. and Quigley, D. (David) (2008) FUEL 20-Nucleation, growth and inhibition of methane hydrate. In: 236th National Meeting of the American Chemical Society, Philadelphia, PA, Aug 17-21, 2008. Published in: Abstracts of papers of the American Chemical Society, Vol.236

Quigley, D. and Rodger, P. Mark. (2008) Free energy and structure of calcium carbonate nanoparticles during early stages of crystallization. Journal of Chemical Physics, Vol.128 (No.22). article no. 221101 . ISSN 0021-9606

Quigley, D. and Rodger, P. Mark. (2008) Metadynamics simulations of ice nucleation and growth. Journal of Chemical Physics, Vol.128 (No.15). article no. 154518 . ISSN 0021-9606

Hawtin, R. W., Quigley, D. and Rodger, P. Mark. (2008) Gas hydrate nucleation and cage formation at a water/methane interface. Physical Chemistry Chemical Physics, Vol.10 (No.32). pp. 4853-4864. ISSN 1463-9076

Quigley, D. and Probert, M.. (2005) Progression of phase behavior for a sequence of model core-softened potentials. Physical Review E, Vol.72 (No.6). 061202. ISSN 1539-3755

Quigley, D. and Probert, M. I. J.. (2005) Constant pressure Langevin dynamics : theory and application. Computer Physics Communications, Vol.169 (No.1-3). pp. 322-325. ISSN 0010-4655

Quigley, D. and Probert, M.. (2005) Phase behavior of a three-dimensional core-softened model system. Physical Review E, Vol.71 (No.6). 065701. ISSN 1539-3755

Quigley, D. and Probert, M.. (2004) Langevin dynamics in constant pressure extended systems. The Journal of Chemical Physics, Vol.120 (No.24). pp. 11432-11441. ISSN 0021-9606