| 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 | 14205 | 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 | 3091 | 1997 |
| The General Utility Lattice Program (GULP) JD Gale, AL Rohl Molecular Simulation 29 (5), 291-341, 2003 | 2762 | 2003 |
| ıa, J. Junquera, P. Ordejon, and DS Portal JM Soler, E Artacho, JD Gale, A Garc J. Phys 14, 2745-2779, 2002 | 1507 | 2002 |
| 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 | 1005 | 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 | 794 | 2008 |
| Stable prenucleation mineral clusters are liquid-like ionic polymers R Demichelis, P Raiteri, JD Gale, D Quigley, D Gebauer Nature communications 2 (1), 590, 2011 | 580 | 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 | 546 | 2013 |
| 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 | 452 | 2012 |
| 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 | 438 | 2010 |
| 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 | 435 | 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 | 422 | 1996 |
| 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 | 400 | 1994 |
| Siesta: Recent developments and applications A García, N Papior, A Akhtar, E Artacho, V Blum, E Bosoni, P Brandimarte, ... The Journal of chemical physics 152 (20), 2020 | 387 | 2020 |
| Empirical potential derivation for ionic materials JD Gale Philosophical Magazine B 73 (1), 3-19, 1996 | 353 | 1996 |
| 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 | 331 | 2019 |
| 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 | 322 | 1997 |
| 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 | 280 | 2010 |
| GULP: Capabilities and prospects JD Gale Zeitschrift für Kristallographie-Crystalline Materials 220 (5-6), 552-554, 2005 | 275 | 2005 |
| Dopant and proton incorporation in perovskite-type zirconates RA Davies, MS Islam, JD Gale Solid State Ionics 126 (3-4), 323-335, 1999 | 275 | 1999 |
