Követés
David Quigley
David Quigley
Professor, University of Warwick
E-mail megerősítve itt: warwick.ac.uk - Kezdőlap
Cím
Hivatkozott rá
Hivatkozott rá
Év
Stable prenucleation mineral clusters are liquid-like ionic-polymers
R Demichelis, P Raiteri, J Gale, D Quigley, D Gebauer
Nature Communications 2, 590, 2011
5202011
Derivation of an accurate force-field for simulating the growth of calcium carbonate from aqueous solution: A new model for the calcite− Water interface
P Raiteri, JD Gale, D Quigley, PM Rodger
The Journal of Physical Chemistry C 114 (13), 5997-6010, 2010
2612010
Gas hydrate nucleation and cage formation at a water/methane interface
RW Hawtin, D Quigley, PM Rodger
Physical Chemistry Chemical Physics 10 (32), 4853-4864, 2008
2222008
Promoting transparency and reproducibility in enhanced molecular simulations
Nature methods 16 (8), 670-673, 2019
1822019
Nucleation of NaCl from aqueous solution: critical sizes, ion-attachment kinetics, and rates
NER Zimmermann, B Vorselaars, D Quigley, B Peters
Journal of the American Chemical Society 137 (41), 13352–13361, 2015
1732015
Metadynamics simulations of ice nucleation and growth
D Quigley, PM Rodger
The Journal of chemical physics 128 (15), 2008
1712008
Langevin dynamics in constant pressure extended systems
D Quigley, MIJ Probert
The Journal of chemical physics 120 (24), 11432-11441, 2004
1532004
Computational techniques at the organic− inorganic interface in biomineralization
JH Harding, DM Duffy, ML Sushko, PM Rodger, D Quigley, JA Elliott
Chemical reviews 108 (11), 4823-4854, 2008
1362008
Structural control of crystal nuclei by an eggshell protein
CL Freeman, JH Harding, D Quigley, PM Rodger
Angewandte Chemie International Edition 49 (30), 5135-5137, 2010
1252010
Free energy and structure of calcium carbonate nanoparticles during early stages of crystallization
D Quigley, PM Rodger
The Journal of chemical physics 128 (22), 2008
982008
Exploring the influence of organic species on pre-and post-nucleation calcium carbonate
P Raiteri, R Demichelis, JD Gale, M Kellermeier, D Gebauer, D Quigley, ...
Faraday Discussions, 2012
852012
Simulations of ovocleidin-17 binding to calcite surfaces and its implications for eggshell formation
CL Freeman, JH Harding, D Quigley, PM Rodger
The Journal of Physical Chemistry C 115 (16), 8175-8183, 2011
792011
NaCl nucleation from brine in seeded simulations: Sources of uncertainty in rate estimates
N Zimmermann, B Vorselaars, JR Espinosa, D Quigley, WR Smith, E Sanz, ...
The Journal of chemical physics 148 (22), 2018
702018
Single-Atom Scale Structural Selectivity in Te Nanowires Encapsulated inside Ultra-Narrow, Single-Walled Carbon Nanotubes
PVC Medeiros, S Marks, JM Wynn, A Vasylenko, QM Ramasse, D Quigley, ...
ACS Nano, 2017
692017
Sampling the structure of calcium carbonate nanoparticles with metadynamics
D Quigley, CL Freeman, JH Harding, PM Rodger
The Journal of chemical physics 134 (4), 2011
592011
Metadynamics simulations of calcite crystallization on self-assembled monolayers
D Quigley, PM Rodger, CL Freeman, JH Harding, DM Duffy
The Journal of chemical physics 131 (9), 2009
532009
A metadynamics-based approach to sampling crystallisation events
D Quigley, PM Rodger
Molecular Simulation 35 (7), 613-623, 2009
532009
Effect of oxygen and nitrogen functionalization on the physical and electronic structure of graphene
AJ Marsden, P Brommer, JJ Mudd, MA Dyson, R Cook, M Asensio, J Avila, ...
Nano Research 8, 2620-2635, 2015
512015
Communication: On the stability of ice 0, ice i, and Ih
D Quigley, D Alfè, B Slater
The Journal of Chemical Physics 141 (16), 2014
502014
Electronic Structure Control of Sub-nanometer 1D SnTe via Nanostructuring within Single-Walled Carbon Nanotubes
A Vasylenko, S Marks, JM Wynn, PVC Medeiros, QM Ramasse, AJ Morris, ...
ACS nano 12 (6), 6023-6031, 2018
412018
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