Julian D Gale
Julian D Gale
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The SIESTA method for ab initio order-N materials simulation
JM Soler, E Artacho, JD Gale, A García, J Junquera, P Ordejón, ...
Journal of Physics: Condensed Matter 14 (11), 2745, 2002
GULP: A computer program for the symmetry-adapted simulation of solids
JD Gale
Journal of the Chemical Society, Faraday Transactions 93 (4), 629-637, 1997
The General Utility Lattice Program (GULP)
JD Gale, AL Rohl
Molecular Simulation 29 (5), 291-341, 2003
Pre-nucleation clusters as solute precursors in crystallisation
D Gebauer, M Kellermeier, JD Gale, L Bergström, H Cölfen
Chemical Society Reviews 43 (7), 2348-2371, 2014
The SIESTA method; developments and applicability
E Artacho, E Anglada, O Diéguez, JD Gale, A García, J Junquera, ...
Journal of Physics: Condensed Matter 20 (6), 064208, 2008
Stable prenucleation mineral clusters are liquid-like ionic polymers
R Demichelis, P Raiteri, JD Gale, D Quigley, D Gebauer
Nature communications 2 (1), 1-8, 2011
Microscopic evidence for liquid-liquid separation in supersaturated CaCO3 solutions
AF Wallace, LO Hedges, A Fernandez-Martinez, P Raiteri, JD Gale, ...
Science 341 (6148), 885-889, 2013
Empirical potential derivation for ionic materials
JD Gale
Philosophical Magazine B 73 (1), 3-19, 1996
The prediction of inorganic crystal structures using a genetic algorithm and energy minimisation
SM Woodley, PD Battle, JD Gale, CRA Catlow
Physical Chemistry Chemical Physics 1 (10), 2535-2542, 1999
Origin of the negative thermal expansion in and
AKA Pryde, KD Hammonds, MT Dove, V Heine, JD Gale, MC Warren
Journal of Physics: Condensed Matter 8 (50), 10973, 1996
Water is the key to nonclassical nucleation of amorphous calcium carbonate
P Raiteri, JD Gale
Journal of the American Chemical Society 132 (49), 17623-17634, 2010
Self-consistent interatomic potentials for the simulation of binary and ternary oxides
C Richard A áCatlow
Journal of Materials Chemistry 4 (6), 831-837, 1994
Calcium carbonate polyamorphism and its role in biomineralization: how many amorphous calcium carbonates are there?
JHE Cartwright, AG Checa, JD Gale, D Gebauer, CI Sainz‐Díaz
Angewandte Chemie International Edition 51 (48), 11960-11970, 2012
Computer Simulation Studies of Bulk Reduction and Oxygen Migration in CeO2−ZrO2 Solid Solutions
G Balducci, J Kašpar, P Fornasiero, M Graziani, MS Islam, JD Gale
The Journal of Physical Chemistry B 101 (10), 1750-1753, 1997
GULP: Capabilities and prospects
JD Gale
Zeitschrift für Kristallographie-Crystalline Materials 220 (5-6), 552-554, 2005
Dopant and proton incorporation in perovskite-type zirconates
RA Davies, MS Islam, JD Gale
Solid State Ionics 126 (3-4), 323-335, 1999
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
Simulating micrometre-scale crystal growth from solution
S Piana, M Reyhani, JD Gale
Nature 438 (7064), 70-73, 2005
Carbon‐based metal‐free catalysts for electrocatalytic reduction of nitrogen for synthesis of ammonia at ambient conditions
S Zhao, X Lu, L Wang, J Gale, R Amal
Advanced Materials 31 (13), 1805367, 2019
Understanding the catalytic behavior of zeolites: A first-principles study of the adsorption of methanol
R Shah, MC Payne, MH Lee, JD Gale
Science 271 (5254), 1395-1397, 1996
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