John H Harding

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C. Richard A. Catlowprofessor of ChemistryVerified email at ucl.ac.uk
Steve ParkerProfessor of Chemistry, University of BathVerified email at bath.ac.uk
Derek C SinclairUniversity of SheffieldVerified email at sheffield.ac.uk
Keith Tobias ButlerStaff Scientist, SciML, Scientific Computing Division, Rutherford Appleton LaboratoriesVerified email at stfc.ac.uk
James Alexander DawsonNewcastle University Academic Track FellowVerified email at newcastle.ac.uk
Anthony HarkerProfessor of Physics, UCLVerified email at ucl.ac.uk
Frederik ClaeyssensProfessor in Polymer Materials, Sheffield UniversityVerified email at sheffield.ac.uk
David QuigleyProfessor, University of WarwickVerified email at warwick.ac.uk
Hungru ChenMurata ManufacturingVerified email at bath.ac.uk
Dean SayleEmeritus Reader, University of KentVerified email at kent.ac.uk
Julian D GaleCurtin UniversityVerified email at curtin.edu.au
Maurizio MarcheseUniversity of TrentoVerified email at unitn.it
John PurtonSTFCVerified email at stfc.ac.uk
John A. VenablesArizona State UniversityVerified email at asu.edu
Karl P TravisReader of Computational Physics and Nuclear Waste Disposal, University of SheffieldVerified email at sheffield.ac.uk
Riccardo Innocenti MaliniPost Doc, EMPAVerified email at empa.ch
James A. ElliottProfessor of Macromolecular Materials Science, University of CambridgeVerified email at cam.ac.uk
Julian DeanUniversity of sheffieldVerified email at sheffield.ac.uk
Ravindra PandeyMichiganTechnological UniversityVerified email at mtu.edu
Per Erik VullumSINTEF IndustryVerified email at sintef.no

John H Harding

Professor of Materials Simulation, University of Sheffield

Verified email at sheffield.ac.uk - Homepage

Atomistic simulation defects ceramics biomineralisation surfaces


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Graphitic nanofilms as precursors to wurtzite films: theory CL Freeman, F Claeyssens, NL Allan, JH Harding Physical review letters 96 (6), 066102, 2006	545	2006
Growth of ZnO thin films—experiment and theory F Claeyssens, CL Freeman, NL Allan, Y Sun, MNR Ashfold, JH Harding Journal of Materials Chemistry 15 (1), 139-148, 2005	385	2005
Dopant ion radius and ionic conductivity in cerium dioxide V Butler, CRA Catlow, BEF Fender, JH Harding Solid State Ionics 8 (2), 109-113, 1983	378	1983
Computer simulation of defects in ionic solids JH Harding Reports on Progress in Physics 53 (11), 1403, 1990	221	1990
The thermodynamics of calcite nucleation at organic interfaces: Classical vs. non-classical pathways Q Hu, MH Nielsen, CL Freeman, LM Hamm, J Tao, JRI Lee, TYJ Han, ... Faraday Discussions 159 (1), 509-523, 2012	188	2012
Interface stability and the growth of optical quality perovskites on MgO RA McKee, FJ Walker, ED Specht, GE Jellison Jr, LA Boatner, JH Harding Physical review letters 72 (17), 2741, 1994	178	1994
Atomistic simulation of the dissociative adsorption of water on calcite surfaces S Kerisit, SC Parker, JH Harding The Journal of Physical Chemistry B 107 (31), 7676-7682, 2003	165	2003
The calculation of defect parameters in UO2 RA Jackson, AD Murray, JH Harding, CRA Catlow Philosophical Magazine A 53 (1), 27-50, 1986	163	1986
Tuning hardness in calcite by incorporation of amino acids YY Kim, JD Carloni, B Demarchi, D Sparks, DG Reid, ME Kunitake, ... Nature materials 15 (8), 903-910, 2016	154	2016
Lithium intercalation into vanadium pentoxide: a theoretical study JS Braithwaite, CRA Catlow, JD Gale, JH Harding Chemistry of materials 11 (8), 1990-1998, 1999	153	1999
Protein sequences bound to mineral surfaces persist into deep time B Demarchi, S Hall, T Roncal-Herrero, CL Freeman, J Woolley, MK Crisp, ... elife 5, e17092, 2016	151	2016
A recommendation for the thermal conductivity of UO2 JH Harding, DG Martin Journal of nuclear materials 166 (3), 223-226, 1989	150	1989
New forcefields for modeling biomineralization processes CL Freeman, JH Harding, DJ Cooke, JA Elliott, JS Lardge, DM Duffy The Journal of Physical Chemistry C 111 (32), 11943-11951, 2007	148	2007
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	129	2008
Hartree-Fock cluster computations of defect and perfect ionic crystal properties JH Harding, AH Harker, PB Keegstra, R Pandey, JM Vail, C Woodward Physica B+ C 131 (1-3), 151-156, 1985	129	1985
The surface structure of CeO2 (0 0 1) single crystals studied by elevated temperature STM H Nörenberg, JH Harding Surface science 477 (1), 17-24, 2001	121	2001
Atomistic modelling of the metal/oxide interface with image interactions DM Duffy, JH Harding, AM Stoneham Acta metallurgica et materialia 40, S11-S16, 1992	121	1992
Biological control on calcite crystallization by polysaccharides M Yang, SLS Stipp, J Harding Crystal Growth and Design 8 (11), 4066-4074, 2008	117	2008
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	116	2010
Effects of cationic substitution on structural defects in layered cathode materials LiNiO 2 H Chen, JA Dawson, JH Harding Journal of Materials Chemistry A 2 (21), 7988-7996, 2014	115	2014

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