Harding, John, Professor

Professor John Harding

MA PhD FRCS FinstP

School of Chemical, Materials and Biological Engineering

Professor of Materials Simulation

j.harding@sheffield.ac.uk
+44 114 222 5957

Sir Robert Hadfield Building

Full contact details

Professor John Harding
School of Chemical, Materials and Biological Engineering
Sir Robert Hadfield Building
Mappin Street
��«Ӱҵ
S1 3JD

Profile: John Harding joined the Department in 2004 from the Department of Physics and Astronomy, University College London having previously worked at Harwell from 1978 to 1995.

Research interests

Real crystals stop somewhere and the boundaries, whether surfaces, grain boundaries or more complex interfaces often determine the behaviour of materials. This is particularly true for nanomaterials, where a significant fraction of the atoms are at a boundary. The way crystals grow, their shape and structure is determined by the local environment. I am a member of a consortium of Universities (Leeds, ��«Ӱҵ, UCL, Warwick) that is investigating the mechanisms of crystallisation using both simulation and experiment.

The most spectacular example of controlling crystallisation is the ability of living systems to grow minerals in complex shapes and sometimes unusual phases. Often, biominerals are nanocomposites – the combination of organic scaffold and mineral produces a material with unusual properties – eg. the hardness of tooth enamel. We work closely with experimental groups, using simulations to understand how biomaterials are formed and why they have the properties that they possess. This work was funded through an EPSRC programme grant "Hard-soft materials: from understanding to engineering" and involved collaborations both within ��«Ӱҵ, nationally and internationally. Further details can be found here.

A current project is using techniques and ideas developed during that grant to investigate environmentally benign methods of extracting rare earths (which are often critical minerals). Further details can be found using the link to the project SoS_RARE.

The bulk properties of crystals, particularly transport properties, are often determined by point defects, either intrinsic, deliberately added or just happen to be there. Understanding the behaviour of defects, interfaces and how they control crystal properties needs simulation at the atomic scale (and often at longer scales as well). We use simulations to understand the properties of a variety of electroceramics, working with other members of the Ceramics and Composites Laboratory. A combination of atomistic and finite element methods is used to model experimental impedance data without the necessity of using over-simplified models of the grain boundary structure and equivalent circuits.

In all these projects, the group therefore uses a variety of methods: static lattice calculations, molecular dynamics, kinetic Monte Carlo, quantum (ab initio) methods, mesoscale (coarse-grained) and finite element simulations in conjunction with experiment to try and understand materials at all appropriate length and timescales.

Key projects

Crystallisation in the real world: Delivering control through theory and experiment
: Multidisciplinary research towards a secure and environmentally sustainable supply of critical rare earth elements (Nd and HREE)
Modelling electroceramic materials, especially ferroelectrics and lithium battery cathode materials

Publications

Books

Stoneham AM, Tomlinson SM, Catlow CRA & Harding JH (1985) . Springer US.

Journal articles

Handley CM, Ward RE, Freeman CL, Reaney IM, Sinclair DC & Harding JH (2023) . Acta Crystallographica Section A Foundations and Advances, 79(2).
Freeman CL & Harding JH (2023) . Journal of Crystal Growth, 603.
Toh C, Keslake A, Payne T, Onwuegbuzie A, Harding J, Baster K, Hoggard N, Shaw PJ, Wilkinson ID & Jenkins TM (2022) . Journal of Neurology.
Yeandel S, Freeman C & Harding J (2022) . The Journal of Chemical Physics.
Fantauzzo V, Yeandel SR, Freeman CL & Harding JH (2022) . Journal of Physics Communications, 6(5).
Marinova V, Freeman CL & Harding JH (2022) . Faraday Discussions.
Ilett M, Freeman HM, Aslam Z, Galloway JM, Klebl DP, Muench SP, McPherson IJ, Cespedes O, Kim Y, Meldrum FC , Yeandel SR et al (2022) . Journal of Microscopy.
Ben L, Li L, Harding JH, Freeman CL & Sinclair DC (2022) . Open Ceramics, 9, 100250-100250.
Hufton J, Harding J, Smith T & Romero-González ME (2021) . Physical Chemistry Chemical Physics, 23(2), 1566-1576.
Finney AR, Innocenti Malini R, Freeman CL & Harding JH (2020) . Crystal Growth & Design, 20(5), 3077-3092.
Garcia NA, Malini RI, Freeman CL, Demichelis R, Raiteri P, Sommerdijk NAJM, Harding JH & Gale JD (2019) . Crystal Growth & Design, 19(11), 6422-6430.
Innocenti Malini R, L. Freeman C & Harding JH (2019) . CrystEngComm, 21(42), 6354-6364.
Heath JP, Harding JH, Sinclair DC & Dean JS (2019) . Advanced Functional Materials, 29(38).
Finney A, Lectez S, Freeman C, Harding J & Stackhouse S (2019) . Chemistry – A European Journal, 25(37), 8725-8740.
Heath JP, Harding JH, Sinclair DC & Dean JS (2018) . Journal of the European Ceramic Society.
Demichelis R, Garcia NA, Raiteri P, Innocenti Malini R, Freeman CL, Harding JH & Gale JD (2018) . The Journal of Physical Chemistry B, 122(4), 1471-1483.
Innocenti Malini R, Finney AR, Hall SA, Freeman CL & Harding JH (2017) . Crystal Growth & Design, 17(11), 5811-5822.
Hufton J, Harding JH & Romero-Gonzalez ME (2016) . Phys Chem Chem Phys, 18, 29101-29112.
Demarchi B, Hall S, Roncal-Herrero T, Freeman CL, Woolley J, Crisp MK, Wilson J, Fotakis A, Fischer R, Kessler BM , Jersie-Christensens RR et al (2016) . eLife, 5.
Williams CD, Travis KP, Burton NA & Harding JH (2016) . Microporous and Mesoporous Materials, 228, 215-223.
Kim YY, Carloni JD, Demarchi B, Sparks D, Reid DG, Kunitake ME, Tang CC, Duer MJ, Freeman CL, Pokroy B , Penkman K et al (2016) . Nature Materials, 15, 903-910.
Innocenti Malini R, Bushuev YG, Hall SA, Freeman CL, Rodger PM & Harding JH (2016) . CrystEngComm, 18(1), 92-101.
Sparks DJ, Romero-Gonzalez ME, El-Taboni E, Freeman CL, Hall SA, Kakonyi G, Swanson L, Banwart SA & Harding JH (2015) . Physical Chemistry Chemical Physics, 17, 27357-27365.
Heath JP, Dean JS, Harding JH & Sinclair DC (2015) . Journal of the American Ceramic Society, 98(6), 1925-1931.
Archer A, Foxhall HR, Allan NL, Gunn DSD, Harding JH, Todorov IT, Travis KP & Purton JA (2014) . Journal of Physics: Condensed Matter, 26(48), 485011-485011.
Dawson JA, Sinclair DC, Harding JH & Freeman CL (2014) . Chemistry of Materials, 26(21), 6104-6112.
Williams CD, Burton NA, Travis KP & Harding JH (2014) . Journal of Chemical Theory and Computation, 10(8), 3345-3353.
Chen H, Dawson JA & Harding JH (2014) . Journal of Materials Chemistry A, 2(21), 7988-7996.
Dean JS, Harding JH & Sinclair DC (2014) . Journal of the American Ceramic Society, 97(3), 885-891.
Harding JH, Freeman CL & Duffy DM (2014) . CrystEngComm, 16(8), 1430-1438.
Freeman CL & Harding JH (2014) . Journal of Physical Chemistry C, 118(3), 1506-1514.
Svensson AM, Olibet S, Rudolph D, Cabrera E, Friis J, Butler K & Harding J (2014) . Journal of The Electrochemical Society, 161(8), E3180-E3187.
Lamers M, Hintzsche LE, Butler KT, Vullum PE, Fang CM, Marsman M, Jordan G, Harding JH, Kresse G & Weeber A (2014) . Solar Energy Materials and Solar Cells, 120(PART A), 311-316.
(2013) . Journal of Materials Chemistry C, 1(48), 8222-8222.
Svensson AM, Olibet S, Cabrera E, Friis J, Butler K & Harding J (2013) . ECS Meeting Abstracts, MA2013-02(28), 2039-2039.
Butler KT & Harding JH (2013) . Journal of Physics Condensed Matter, 25(39).
Freeman CL, Dawson JA, Chen HR, Ben L, Harding JH, Morrison FD, Sinclair DC & West AR (2013) . Advanced Functional Materials, 23(31), 3925-3928.
Dawson JA, Freeman CL, Harding JH & Sinclair DC (2013) . Journal of Solid State Chemistry, 200, 310-316.
Lamers M, Butler K, Vullum PE, Harding J & Weeber A (2013) . Physica Status Solidi (A) Applications and Materials Science, 210(4), 658-668.
Freeman CL, Hu Q, Nielsen MH, Tao J, De Yoreo JJ & Harding JH (2013) . Journal of Physical Chemistry C, 117(10), 5154-5163.
Freeman CL, Dawson JA, Harding JH, Ben LB & Sinclair DC (2013) . Advanced Functional Materials, 23(4), 491-495.
Dawson JA, Li X, Freeman CL, Harding JH & Sinclair DC (2013) . JOURNAL OF MATERIALS CHEMISTRY C, 1(8), 1574-1582.
Dawson JA, Li X, Freeman CL, Harding JH & Sinclair DC (2013) The application of a new potential model to the rare-earth doping of SrTiO3 and CaTiO3 (vol 1, pg 1574, 2013). JOURNAL OF MATERIALS CHEMISTRY C, 1(48), 8222-8222.
Butler KT & Harding JH (2012) . Physical Review B - Condensed Matter and Materials Physics, 86(24).
Butler KT, Harding JH, Lamers MPWE & Weeber AW (2012) . Journal of Applied Physics, 112(9).
Dawson JA, Harding JH, Chen H & Sinclair DC (2012) . JOURNAL OF APPLIED PHYSICS, 111(9).
Freeman CL, Harding JH, Quigley D & Rodger PM (2012) . Phys Chem Chem Phys, 14(20), 7287-7295.
Harding JH, Freeman CL, Quigley D & Rodger PM (2012) Nucleation and growth of biomaterials: The role of simulations for understanding, 295-311.
Lamers MWPE, Butler K, Romijn IG, Harding J & Weeber AW (2012) . Materials Research Society Symposium Proceedings, 1423, 1-6.
Foxhall HR, Harding JH & Travis KP (2012) . Materials Research Society Symposium Proceedings, 1475, 577-582.
Lamers MWPE, Butler KT, Harding JH & Weeber A (2012) Interface properties of a-SiN x :H/Si to improve surface passivation. Solar Energy Materials and Solar Cells.
Hu Q, Nielsen MH, Freeman CL, Hamm LM, Tao J, Lee JRI, Han TYJ, Becker U, Harding JH, Dove PM & De Yoreo JJ (2012) . Faraday Discussions, 159, 509-523.
Gunn DSD, Allan NL, Foxhall H, Harding JH, Purton JA, Smith W, Stein MJ, Todorov IT & Travis KP (2012) . Journal of Materials Chemistry, 22(11), 4675-4680.
Chen H & Harding JH (2012) . Physical Review B - Condensed Matter and Materials Physics, 85(11).
Chen HR, Freeman CL & Harding JH (2011) . PHYS REV B, 84(8).
Freeman CL, Harding JH, Quigley D & Rodger PM (2011) . J PHYS CHEM C, 115(16), 8175-8183.
Dawson JA, Freeman CL, Ben LB, Harding JH & Sinclair DC (2011) . J APPL PHYS, 109(8).
Quigley D, Freeman CL, Harding JH & Rodger PM (2011) . J Chem Phys, 134(4), 044703.
Butler KT, Lamers MPWE, Weeber AW & Harding JH (2011) . JOURNAL OF APPLIED PHYSICS, 110(12).
Butler KT, Vullum PE, Muggerud AM, Cabrera E & Harding JH (2011) . Physical Review B - Condensed Matter and Materials Physics, 83(23).
Gilbert M & Harding JH (2011) . PHYS CHEM CHEM PHYS, 13(28), 13021-13025.
Freeman CL, Dawson JA, Chen HR, Harding JH, Ben LB & Sinclair DC (2011) . J MATER CHEM, 21(13), 4861-4868.
Patargias GN, Harris SA & Harding JH (2010) . J CHEM PHYS, 132(23).
Freeman CL, Harding JH, Quigley D & Rodger PM (2010) . Angew Chem Int Ed Engl, 49(30), 5135-5137.
Rammutla KE, Chadwick AV, Harding J, Sayle DC & Erasmus RM (2010) . Journal of Physics: Conference Series, 249.
Quigley D, Rodger PM, Freeman CL, Harding JH & Duffy DM (2009) . J CHEM PHYS, 131(9).
Harding JH, Freeman CL, Yang MJ, Cooke DJ, Elliott JA, Duffy DM, Lardge J, Quigley D & Rodger PM (2009) Models for the nucleation and growth of calcium carbonate. ABSTR PAP AM CHEM S, 238.
Harding JH, Freeman CL, Quigley D & Rodger PM (2009) Controlling crystal growth using organic molecules, biomolecules, and arrays. ABSTR PAP AM CHEM S, 238.
Stoneham AM & Harding JH (2009) . MATER SCI TECH-LOND, 25(4), 460-465.
Freeman CL, Asteriadis I, Yang MJ & Harding JH (2009) . J PHYS CHEM C, 113(9), 3666-3673.
Mohn CE, Allan NL & Harding JH (2009) . PHYS CHEM CHEM PHYS, 11(17), 3217-3225.
Mohn CE, Allan NL & Harding JH (2008) . Materials Research Society Symposium Proceedings, 1148, 76-81.
Yang MJ, Stipp SLS & Harding J (2008) . CRYST GROWTH DES, 8(11), 4066-4074.
Harding JH, Duffy DM, Sushko ML, Rodger PM, Quigley D & Elliott JA (2008) . Chem Rev, 108(11), 4823-4854.
Sushko ML, Harding JH, Shluger AL, McKendry RA & Watari M (2008) . ADV MATER, 20(20), 3848-+.
Freeman CL, Harding JH & Duffy DM (2008) . Langmuir, 24(17), 9607-9615.
Claeyssens F, Freeman CL, Harding JH & Allan NL (2008) A theoretical study of ultra-thin films with the wurtzite and zinc blende structures. Materials Research Society Symposium Proceedings, 1035, 122-127.
Freeman CL, Harding JH, Cooke DJ, Elliott JA, Lardge JS & Duffy DM (2007) . J PHYS CHEM C, 111(32), 11943-11951.
Carter R, Sloan J, Kirkland AI, Meyer RR, Lindan PJD, Lin G, Green MLH, Vlandas A, Hutchison JL & Harding J (2006) . PHYS REV LETT, 96(21).
Venables JA, Giordano L & Harding JH (2006) . J PHYS-CONDENS MAT, 18(16), S411-S427.
Dyshlovenko S, Pawlowski L, Pateyron B, Smurov I & Harding JH (2006) . SURF COAT TECH, 200(12-13), 3757-3769.
Freeman CL, Claeyssens F, Allan NL & Harding JH (2006) . Phys Rev Lett, 96(6), 066102.
Pyper NC, Kirkland AI & Harding JH (2006) . J PHYS-CONDENS MAT, 18(2), 683-702.
Harding JH & Duffy DM (2006) . J MATER CHEM, 16(12), 1105-1112.
Duffy DM & Harding JH (2005) . SURF SCI, 595(1-3), 151-156.
Henkelman G, Uberuaga BP, Harris DJ, Harding JH & Allan NL (2005) . PHYS REV B, 72(11).
Duffy DM & Harding JH (2005) . LANGMUIR, 21(9), 3850-3857.
Duffy DM, Travaille AM, van Kempen H & Harding JH (2005) . J PHYS CHEM B, 109(12), 5713-5718.
Claeyssens F, Freeman CL, Allan NL, Sun Y, Ashfold MNR & Harding JH (2005) . J MATER CHEM, 15(1), 139-148.
Duffy DM & Harding JH (2004) . Langmuir, 20(18), 7637-7642.
Duffy DM & Harding JH (2004) . Langmuir, 20(18), 7630-7636.
Harris DJ, Lavrentiev MY, Harding JH, Allan NL & Purton JA (2004) . Journal of Physics Condensed Matter, 16(13).
Duffy DM & Harding JH (2004) How organic monolayers control the shape of growing minerals. Materials Research Society Symposium Proceedings, EXS(1), 257-259.
Lavrentiev MY, Harris DJ, Harding JH, Allan NL & Purton JA (2004) . Dalton Transactions(19).
Kelly JM, O'Brien P, Weller H, Green M & Harding JH (2003) New synthetic routes for quantum dots - Discussion. PHILOS T R SOC A, 361(1803), 310-310.
Stoneham AM, Weller H, Allam J, Weller H, Allam J, Weller H, Allam J, Weller H, Abram RA, Weller H , Abram RA et al (2003) Synthesis and self-assembly of colloidal nanoparticles - Discussion. PHILOS T R SOC A, 361(1803), 239-240.
Kelly JM, Scher EC, Shluger A, Scher EC, Kershaw S, Scher EC, Harding JH, Scher EC, Stoneham AM & Scher EC (2003) Shape control and applications of nanocrystals - Discussion. PHILOS T R SOC A, 361(1803), 256-257.
Stoneham AM & Harding JH (2003) . Nat Mater, 2(2), 77-83.
Burt MG, Harding JH & Marshall Stoneham A (2003) . Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, 361(1803), 225-227.
Weller H, Stoneham AM, Allam J, Abram RA & Harding JH (2003) . Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, 361(1803), 229-240.
Venables JA, Bennett PA, Brune H, Drucker J, Harding JH, Dobson P, Oliver RA & Stoneham AM (2003) . Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, 361(1803), 311-329.
Crouch D, Norager S, O'Brien P, Park JH, Pickett N, Kelly JM, Weller H, Green M & Harding JH (2003) . Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, 361(1803), 297-310.
Harding JH (2003) . Interface Science, 11(1), 81-90.
Harding JH & Duffy DM (2003) Control of inorganic morphologies by organic templates. Materials Research Society Symposium - Proceedings, 735, 87-92.
Harding JH, Atkinson KJW & Grimes RW (2003) . Journal of the American Ceramic Society, 86(4), 554-559.
Scher EC, Manna L, Paul Alivisatos A, Kelly JM, Shluger A, Kershaw S, Harding JH & Stoneham AM (2003) . Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, 361(1803), 241-257.
Kerisit S, Parker SC & Harding JH (2003) . Journal of Physical Chemistry B, 107(31), 7676-7682.
Harding JH, Duffy DM & Harris DJ (2003) Simulating oxide interfaces and heterointerfaces. Materials Research Society Symposium - Proceedings, 751, 7-18.
Harding JH, Duffy DM & Harris DJ (2002) . MRS Proceedings, 751.
Kerisit S, Parker SC & Harding J (2002) Atomistic simulation of the structure and reactivity of calcite surfaces. GEOCHIM COSMOCHIM AC, 66(15A), A396-A396.
Harding JH & Duffy DM (2002) . MRS Proceedings, 735.
De Leeuw NH, Harding JH & Parker SC (2002) . Molecular Simulation, 28(6-7), 573-589.
De Leeuw NH, Heyes DM & Harding JH (2002) . Molecular Simulation, 28(6-7), 473-474.
Duffy DM & Harding JH (2002) . Journal of Materials Chemistry, 12(12), 3419-3425.
Braithwaite JS, Richard C, Catlow A, Harding JH & Gale JD (2001) A theoretical study of lithium intercalation into V6O13 - a combined classical, quantum mechanical approach. PHYS CHEM CHEM PHYS, 3(18), 4052-4059.
Norenberg H & Harding JH (2001) Ca-induced surface reconstructions on TiO2(110) studied by scanning tunneling microscopy, reflection high-energy electron diffraction and atomistic simulation. SURF SCI, 473(1-2), 151-157.
Nörenberg H & Harding JH (2001) . Surface Science, 477(1), 17-24.
Marks NA, Finnis MW, Harding JH & Pyper NC (2001) . Journal of Chemical Physics, 114(10), 4406-4414.
Harding JH & Harris DJ (2001) . Physical Review B - Condensed Matter and Materials Physics, 63(9).
Harris DJ, Brodholt JP, Harding JH & Sherman DM (2001) . Molecular Physics, 99(10), 825-833.
Harris DJ, Harding JH & Watson GW (2000) Computer simulation of the reactive element effect in NiO grain boundaries. ACTA MATER, 48(12), 3039-3048.
Braithwaite JS, Catlow CRA, Harding JH & Gale JD (2000) A computational study of the high voltage LixCoyMn4-yO8 cathode material. PHYS CHEM CHEM PHYS, 2(17), 3841-3846.
Zhukovskii YF, Kotomin EA, Jacobs PWM, Stoneham AM & Harding JH (2000) . Journal of Physics Condensed Matter, 12(1), 55-66.
Braithwaite JS, Catlow CRA, Gale JD, Harding JH & Ngoepe PE (2000) . Journal of Materials Chemistry, 10(2), 239-240.
Sayle DC, Catlow CRA, Harding JH, Healy MJF, Maicaneanu SA, Parker SC, Slater B & Watson GW (2000) . Journal of Materials Chemistry, 10(6), 1315-1324.
Venables JA, Haas G, Brune H & Harding JH (1999) . MRS Proceedings, 570.
Zhukovskii YF, Kotomin EA, Jacobs PWM, Stoneham AM & Harding JH (1999) . Surface Science, 441(2-3), 373-383.
Nörenberg H & Harding JH (1999) . Applied Surface Science, 142(1), 174-176.
Nörenberg H (1999) . Physical Review B - Condensed Matter and Materials Physics, 59(15), 9842-9845.
Harding JH & Harris DJ (1999) . Physical Review B - Condensed Matter and Materials Physics, 60(4), 2740-2746.
Harding JH (1999) . Surface Science, 422(1-3), 87-94.
Harris DJ & Harding JH (1999) . Radiation Effects and Defects in Solids, 151(1), 305-309.
Harris DJ, Harding JH & Parker SC (1999) . Radiation Effects and Defects in Solids, 151(1), 299-304.
Harding JH, Harris DJ & Parker SC (1999) . Surface Science, 422(1-3).
Braithwaite JS, Catlow CRA, Gale JD & Harding JH (1999) . Chemistry of Materials, 11(8), 1990-1998.
de Leeuw NH & Parker SC (1999) . Physical Review B - Condensed Matter and Materials Physics, 60(19), 13792-13799.
Doltsinis IS, Harding J & Marchese M (1998) Modelling the production and performance analysis of plasma-sprayed ceramic thermal barrier coatings. ARCH COMPUT METHOD E, 5(2), 59-166.
Grant AR, Sievers AJ, Harding JH & Sangster MJL (1998) . Physical Review Letters, 81(17), 3687-3690.
Stoneham AM & Harding JH (1998) . Acta Materialia, 46(7), 2255-2261.
Harding J, Stoneham A & Venables J (1998) . Physical Review B - Condensed Matter and Materials Physics, 57(11), 6715-6719.
Harding JH & Noguera C (1998) . Philosophical Magazine Letters, 77(6), 315-320.
Boureau G, Carniato S, Tétot R & Harding JH (1997) . Molecular Simulation, 20(1-2), 27-39.
Harding JH (1997) . Current Opinion in Solid State and Materials Science, 2(6), 728-732.
Carniato S, Boureau G & Harding JH (1997) . Philosophical Magazine A: Physics of Condensed Matter, Structure, Defects and Mechanical Properties, 75(5), 1435-1445.
Paolini GV, Lindan PJD & Harding JH (1997) . Journal of Chemical Physics, 106(9), 3681-3687.
Sayle DC, Gay DH, Rohl AL, Catlow CRA, Harding JH, Perrin MA & Nortier P (1996) Computer modelling of V2O5: Surface structures, crystal morphology and ethene sorption. J MATER CHEM, 6(4), 653-660.
Stoneham M, Harding J & Harker T (1996) The shell model and interatomic potentials for ceramics. MRS BULL, 21(2), 29-35.
Wilson M, Madden PA, Pyper NC & Harding JH (1996) . Journal of Chemical Physics, 104(20), 8068-8081.
Duffy DM, Harding JH & Stoneham AM (1996) . Acta Materialia, 44(8), 3293-3298.
Harding JH, Mulheran PA, Cirolini S, Marchese M & Jacucci G (1995) . Journal of Thermal Spray Technology, 4(1), 34-40.
HARDING JH & PYPER NC (1995) THE MEANING OF THE OXYGEN 2ND-ELECTRON AFFINITY AND OXIDE POTENTIAL MODELS. PHIL MAG LETT, 71(2), 113-121.
Duffy DM, Harding JH & Stoneham AM (1995) . Acta Metallurgica Et Materialia, 43(4), 1559-1568.
Sayle DC, Sayle TXT, Parker SC, Harding JH & Catlow CRA (1995) . Surface Science, 334(1-3), 170-178.
FOWLER PW, HARDING JH & PYPER NC (1994) THE POLARIZABILITIES AND DISPERSION COEFFICIENTS FOR IONS IN THE SOLID GROUP-IV OXIDES. J PHYS-CONDENS MAT, 6(48), 10593-10606.
CASADO JM, HARDING JH & HYLAND GJ (1994) SMALL-POLARON HOPPING IN MOTT-INSULATING UO2. J PHYS-CONDENS MAT, 6(25), 4685-4698.
SAYLE DC, PARKER SC & HARDING JH (1994) CALCULATED DEFECT FORMATION ENERGIES AS A FUNCTION OF DISTANCE FROM THE BAO/MGO INTERFACE COMPARED WITH IMAGE THEORY PREDICTIONS. PHILOS MAG A, 69(4), 787-792.
SAYLE DC, PARKER SC & HARDING JH (1994) A STUDY OF THIN-FILM YBA2CU3O6.5/MGO INTERFACES USING A NEAR COINCIDENCE SITE LATTICE THEORY WITH ATOMISTIC SIMULATION. MOL SIMULAT, 12(2), 127-139.
HARKER AH & HARDING JH (1994) INTERIONIC POTENTIALS FOR OXIDES - THEORY AND APPLICATIONS. RADIAT EFF DEFECT S, 129(1-2), 77-80.
Duffy DM, Harding JH & Stoneham AM (1994) . Journal of Applied Physics, 76(5), 2791-2798.
Sayle DC, Parker SC & Harding JH (1994) . Journal of Materials Chemistry, 4(12), 1883-1887.
Harding JH, Lindan PJD & Pyper NC (1994) . Journal of Physics: Condensed Matter, 6(32), 6485-6496.
McKee RA, Walker FJ, Specht ED, Jellison GE, Boatner LA & Harding JH (1994) . Physical Review Letters, 72(17), 2741-2744.
Sayle DC, Sayle TXT, Parker SC, Catlow CRA & Harding JH (1994) . Physical Review B, 50(19), 14498-14505.
SAYLE TXT, CATLOW CRA, SAYLE DC, PARKER SC & HARDING JH (1993) COMPUTER-SIMULATION OF THIN-FILM HETEROEPITAXIAL CERAMIC INTERFACES USING A NEAR-COINCIDENCE-SITE LATTICE THEORY. PHILOS MAG A, 68(3), 565-573.
DUFFY DM, HARDING JH & STONEHAM AM (1993) ATOMISTIC MODELING OF METAL-OXIDE INTERFACES WITH IMAGE INTERACTIONS. PHILOS MAG A, 67(4), 865-882.
Harding JH (1993) . Journal of Nuclear Materials, 202(3), 216-221.
HARDING JH (1992) SIMULATION OF GROWTH-PROCESSES. PHILOS T ROY SOC A, 341(1661), 283-291.
Ferrari M & Harding JH (1992) . Journal of Energy Resources Technology, 114(2), 105-109.
Duffy DM, Harding JH & Stoneham AM (1992) . Acta Metallurgica Et Materialia, 40(SUPPL.).
Mulheran PA & Harding JH (1992) . Modelling and Simulation in Materials Science and Engineering, 1(1), 39-43.
Cirolini S, Harding JH & Jacucci G (1991) . Surface and Coatings Technology, 48(2), 137-145.
FERRARI M, HARDING JH & MARCHESE M (1991) COMPUTER-SIMULATION OF PLASMA-SPRAYED COATINGS .2. EFFECTIVE BULK PROPERTIES AND THERMAL-STRESS CALCULATIONS. SURF COAT TECH, 48(2), 147-154.
HARDING JH (1991) DEFECT PARAMETERS IN THE ALKALI-HALIDES. RADIAT EFF DEFECT S, 119, 257-262.
TESTA A, STONEHAM AM, CATLOW CRA, SONG KS, HARKER AH & HARDING JH (1991) THE VK CENTER IN NACL. RADIAT EFF DEFECT S, 119, 27-32.
Mulheran P & Harding JH (1991) . Acta Metallurgica Et Materialia, 39(10), 2251-2254.
Mulheran P & Harding JH (1990) . MRS Proceedings, 209.
Ferrari M, Harding JH & Marchese M (1990) . MRS Proceedings, 190.
Stoneham AM, Sangster MJL & Harding JH (1990) . Philosophical Magazine A, 62(5), 487-497.
HARDING JH, SANGSTER MJL, STONEHAM AM & TARENTO RJ (1990) THE PREDICTION OF CORRELATION FACTORS AND MOTION ENERGIES FOR DIFFUSION OF TRANSITION-METAL IONS IN COO AND NIO. PHILOS MAG A, 62(5), 473-486.
STRANGE JH, RAGEB SM, CHADWICK AV, FLACK KW & HARDING JH (1990) CONDUCTIVITY AND NMR-STUDY OF IONIC MOBILITY IN LITHIUM-OXIDE. J CHEM SOC FARADAY T, 86(8), 1239-1241.
Harding JH (1990) . Molecular Simulation, 4(5), 255-268.
Harding JH (1990) . Reports on Progress in Physics, 53(11), 1403-1466.
Tomlinson SM, Catlow CRA & Harding JH (1990) . Journal of Physics and Chemistry of Solids, 51(6), 477-506.
Harding JH (1989) . Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics, 85(5), 351-365.
Harding JH & Martin DG (1989) . Journal of Nuclear Materials, 166(3), 223-226.
GILLAN MJ, HARDING JH & LESLIE M (1988) A COMPARISON OF METHODS FOR CALCULATING DEFECT ENTROPIES IN IONIC-CRYSTALS. J PHYS C SOLID STATE, 21(32), 5465-5472.
CHADWICK AV, FLACK KW, STRANGE JH & HARDING J (1988) DEFECT STRUCTURES AND IONIC TRANSPORT IN LITHIUM-OXIDE. SOLID STATE IONICS, 28, 185-188.
Hampton RN, Saunders GA, Stoneham AM & Harding JH (1988) . Journal of Nuclear Materials, 154(2-3), 245-252.
HARDING JH, SANGSTER MJL & STONEHAM AM (1987) CATION DIFFUSION IN ALKALINE-EARTH OXIDES. J PHYS C SOLID STATE, 20(32), 5281-5292.
TARENTO RJ & HARDING JH (1987) COMPARISON OF MOLECULAR-DYNAMICS AND STATIC SIMULATIONS OF AN ANION VACANCY IN COBALT OXIDE. J PHYS C SOLID STATE, 20(27), L677-L680.
CATLOW CRA, CORISH J, HARDING JH & JACOBS PWM (1987) A CALCULATION OF DEFECT GIBBS ENERGIES FOR SILVER-CHLORIDE AND SILVER BROMIDE. PHILOS MAG A, 55(4), 481-498.
HARDING JH & SANGSTER MJL (1987) MODELING OF LOCALIZED VIBRATIONS IN ALKALI-HALIDES WITH IMPURITIES. CRYST LATT DEF AMORP, 15(1-4), 1-6.
HARDING JH (1987) CALCULATION OF THE VOLUMES OF DEFECT PROCESSES IN CUBIC LEAD FLUORIDE. CRYST LATT DEF AMORP, 15(1-4), 71-74.
Harding JH (1987) . Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics, 83(7), 1177-1187.
Hampton N, Saunders GA, Harding JH & Stoneham AM (1987) . Journal of Nuclear Materials, 149(1), 18-20.
Hampton RN, Saunders GA, Harding JH & Stoneham AM (1987) . Journal of Nuclear Materials, 150(1), 17-23.
Gillan MJ, Harding JH & Tarento RJ (1987) . Journal of Physics C: Solid State Physics, 20(16), 2331-2346.
HARDING JH (1986) QUASI-HARMONIC CALCULATIONS OF THE ISOTOPE EFFECT IN DIFFUSION. J PHYS C SOLID STATE, 19(31), L731-L734.
SANGSTER MJL & HARDING JH (1986) CALCULATION OF LOCAL AND GAP MODE FREQUENCIES FROM IMPURITIES IN ALKALI-HALIDE CRYSTALS. J PHYS C SOLID STATE, 19(31), 6153-6167.
HARDING JH & TARENTO RJ (1986) THE CALCULATION OF THE HUGONIOT IN IONIC OXIDES. J PHYS C SOLID STATE, 19(16), 2847-2852.
JACKSON RA, MURRAY AD, HARDING JH & CATLOW CRA (1986) THE CALCULATION OF DEFECT PARAMETERS IN UO2. PHILOS MAG A, 53(1), 27-50.
STONEHAM AM & HARDING JH (1986) INTERATOMIC POTENTIALS IN SOLID-STATE CHEMISTRY. ANNU REV PHYS CHEM, 37, 53-80.
Masri P, Tasker PW, Hoare JP & Harding JH (1986) . Surface Science, 173(2-3), 439-454.
Harding JH (1985) . MRS Proceedings, 60.
Harding JH & Tarento R-J (1985) . MRS Proceedings, 60.
HARDING JH (1985) CALCULATION OF THE FREE-ENERGY OF DEFECTS IN CALCIUM-FLUORIDE. PHYS REV B, 32(10), 6861-6872.
Harding JH (1985) . Journal of Nuclear Materials, 130(C), 513-516.
Harding JH & Harker AH (1985) . Philosophical Magazine B: Physics of Condensed Matter; Statistical Mechanics, Electronic, Optical and Magnetic Properties, 51(2), 119-125.
Harding JH, Harker AH, Keegstra PB, Pandey R, Vail JM & Woodward C (1985) . Physica B+C, 131(1-3), 151-156.
Harding JH (1985) . Physica B+C, 131(1-3), 13-26.
Harding JH, Harker AH, Keegstra PB, Pandey R, Vail JM & Woodward C (1984) HARTREE-FOCK CLUSTER COMPUTATIONS OF DEFECT AND PERFECT IONIC CRYSTAL PROPERTIES.. Physica B: Physics of Condensed Matter & C: Atomic, Molecular and Plasma Physics, Optics, 131(1-3), 151-156.
VAIL JM, HARKER AH, HARDING JH & SAUL P (1984) CALCULATIONS FOR ELECTRONIC POINT-DEFECTS WITH SELF-CONSISTENT LATTICE POLARIZATION - THE F+ CENTER IN MGO. J PHYS C SOLID STATE, 17(19), 3401-3414.
PANDEY R & HARDING JH (1984) STUDY OF DEFECT STRUCTURE OF CALCIUM SULFIDE. PHILOS MAG B, 49(2), 135-141.
Harding JH & Stoneham AM (1984) . Journal of Physics C: Solid State Physics, 17(7), 1179-1189.
Harding JH & Pandey R (1984) . Journal of Nuclear Materials, 125(2), 125-137.
Butler V, Catlow CRA, Fender BEF & Harding JH (1983) . Solid State Ionics, 8(2), 109-113.
STONEHAM AM & HARDING JH (1982) INTER-ATOMIC POTENTIALS IN COVALENT AND SEMI-COVALENT SOLIDS. LECT NOTES PHYS, 166, 162-171.
HARDING JH & STONEHAM AM (1982) DEFECT ENERGIES IN ZNSE. J PHYS C SOLID STATE, 15(22), 4649-4659.
HARDING JH & STONEHAM AM (1981) VIBRATIONAL ENTROPIES OF DEFECTS IN SOLIDS. PHILOS MAG B, 43(4), 705-713.
HARDING JH (1981) THE ENERGY OF FORMATION OF ALKALI-METAL ION INTERSTITIALS IN ZINC SELENIDE. J PHYS C SOLID STATE, 14(33), 5049-5054.
HARDING JH (1981) ENERGY OF FORMATION OF ALKALI-METAL ION INTERSTITIALS IN ZINC SELENIDE. J ELECTROCHEM SOC, 128(6), C239-C239.
HARDING JH, MASRI P & STONEHAM AM (1980) THERMODYNAMIC PROPERTIES OF URANIUM-DIOXIDE - ELECTRONIC CONTRIBUTIONS TO THE SPECIFIC-HEAT. J NUCL MATER, 92(1), 73-78.
HARDING JH (1980) VIBRATIONAL-MODES OF THE VK CENTERS IN ALKALI-HALIDES. J PHYS C SOLID STATE, 13(18), 3505-3510.
HARDING JH (1979) ELECTRONIC-STRUCTURE OF THE V- AND RELATED CENTERS IN ALKALINE-EARTH OXIDES. J PHYS C SOLID STATE, 12(19), 3931-3940.
GERLOCH M & HARDING JH (1978) SUPEREXCHANGE IN COPPER ACETATES. P ROY SOC LOND A MAT, 360(1701), 211-227.
HURSTHOUSE MB, MALIK KMA, DAVIES JE & HARDING JH (1978) BIS(ACETYLACETONATO)BIS(6-METHYLQUINOLINE)COBALT(II). ACTA CRYSTALLOGR B, 34(APR), 1355-1357.
BOYD PDW, GERLOCH M, HARDING JH & WOOLLEY RG (1978) MAGNETIC EXCHANGE AND ANISOTROPIC SUSCEPTIBILITIES IN HIGH-SPIN BINUCLEAR COBALT II SPECIES. P ROY SOC LOND A MAT, 360(1701), 161-189.
Galloway JM, Aslam ZP, Yeandel SR, Kulak A, Ilett MA, Kim Y-Y, Bejarano-Villafuerte A, Pokroy B, Drummond-Brydson RM, Freeman CL , Harding JH et al () . Chemical Science.
Anderson MW, Bennett M, Cedeno R, Cölfen H, Cox SJ, Cruz-Cabeza AJ, De Yoreo JJ, Drummond-Brydson R, Dudek MK, Fichthorn KA , Finney AR et al () . Faraday Discussions.
Morales-García AL, Walton R, Blakeman JT, Banwart SA, Harding JH, Geoghegan M, Freeman CL & Rolfe SA () . Langmuir.
Archer A, Foxhall HR, Allan NL, Shearer JRW, Gunn DSD, Harding JH, Todorov IT, Travis KP & Purton JA () . Molecular Simulation, 1-11.
Freeman CL, Harding JH, Quigley D & Rodger PM () . Physical Chemistry Chemical Physics, 17(26), 17494-17500.
Freeman CL, Harding JH, Quigley D & Rodger PM () . Angewandte Chemie, 122(30), 5261-5263.
Grant A, Sievers AJ, Rosenberg AS, Harding JH & Sangster MJL () . Materials Science Forum, 239-241, 489-492.
Ward RE, Freeman CL, Dean JS, Sinclair DC & Harding JH () . Advanced Functional Materials.

Chapters

Harding JH, Freeman CL, Quigey D & Rodger PM (2012) Nucleation and Growth of Biomaterials: The Role of Simulations for Understanding. In Barnard AS & Guo H (Ed.), Nature’s Nanostructures (pp. 291-307). Singapore: Pan Stanford.
Harding JH, Harker AH, Shluger AL & Stoneham AM (1998) , Ceramic Microstructures (pp. 13-22). Springer US
Allan NL, Bell RG, Brown ID, Catlow CRA, Freeman CM, Gorman AM, Harding JH, Harrison NM, Jackson RA, Jacobs PWM , Mackrodt WC et al (1997) , Computer Modeling in Inorganic Crystallography (pp. vii-viii). Elsevier
Harding JH (1997) , Computer Modeling in Inorganic Crystallography (pp. 185-199). Elsevier
FISHER AJ, HARDING JH, HARKER AH & STONEHAM AM (1992) , Quantum Mechanical Cluster Calculations in Solid State Studies (pp. 73-87). WORLD SCIENTIFIC
CHOY TC, HARDING JH, HARKER AH, MULHERAN PA, SMITH LW & STONEHAM AM (1991) , Computer Aided Innovation of New Materials (pp. 869-872). Elsevier
Harding JH (1991) , Computer Simulation in Materials Science (pp. 159-182). Springer Netherlands
Harding JH, Parker SC & Tasker PW (1989) , Non-Stoichiometric Compounds (pp. 337-349). Springer Netherlands
Harding JH (1986) , Defects in Solids (pp. 303-310). Springer US
Tomlinson SM, Catlow CRA & Harding JH (1985) , Transport in Nonstoichiometric Compounds (pp. 539-550). Springer US
Harding JH (1983) , The Physics of Superionic Conductors and Electrode Materials (pp. 27-40). Springer US
Gerloch M, Harding JH & Woolley RG (1981) , Inorganic Chemistry (pp. 1-46). Springer Berlin Heidelberg
Nörenberg H, Harding JH & Parker SC () , Materials Aspects in Automotive Catalytic Converters (pp. 237-240). Wiley-VCH Verlag GmbH & Co. KGaA

Conference proceedings papers

Harding J, Freeman C, Fantauzzo V, Armstrong E, Marinova V & Yeandel S (2021) . Goldschmidt2021 abstracts, 4 July 2021 - 9 July 2021.
Harding J, Freeman C, Finney A & Malini RI (2018) Understanding the mechanisms of biomineralisation: a grand challenge. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, Vol. 255
Williams CD, Travis KP, Harding JH & Burton NA (2015) . MRS Proceedings, Vol. 1744 (pp 53-58)
Rodger PM, Quigley D, Harding JH & Freeman CL (2010) Simulating crystal nucleation: Seeing the infrequent with Molecular dynamics. GEOCHIMICA ET COSMOCHIMICA ACTA, Vol. 74(12) (pp A875-A875)
Duffy DM, Freeman CL, Harding JH, Quigley D & Rodger PM (2009) Modelling biomineralization processes. GEOCHIMICA ET COSMOCHIMICA ACTA, Vol. 73(13) (pp A311-A311)
Freeman CL, Harding JH, Allan NL & Pinilla C (2009) Adsorption and segregation at surfaces in minerals and biominerals. GEOCHIMICA ET COSMOCHIMICA ACTA, Vol. 73(13) (pp A396-A396)
Yang MJ, Rodger PM, Harding JH & Stipp SLS (2009) . MOLECULAR SIMULATION, Vol. 35(7) (pp 547-553)
Yang M, Harding J & Stipp SLS (2008) . MINERALOGICAL MAGAZINE, Vol. 72(1) (pp 295-299)
Sloan J, Carter R, Vlandas A, Meyer RR, Liu Z, Suenaga K, Lindan PJD, Lin G, Harding J, Flahaut E , Giusca C et al (2008) Band-Gap Modification Induced in HgTe by Dimensional Constraint in Carbon Nanotubes: Effect of Nanotube Diameter on Microstructure. MICROSCOPY OF SEMICONDUCTING MATERIALS 2007, Vol. 120 (pp 213-+)
Sloan J, Carter R, Meyer RR, Vlandas A, Kirkland AI, Lindan PJD, Lin G, Harding J & Hutchison JL (2006) . PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, Vol. 243(13) (pp 3257-3262)
Freeman CL, Claeyssens F, Allan NL & Harding JH (2006) . JOURNAL OF CRYSTAL GROWTH, Vol. 294(1) (pp 111-117)
Lavrentiev MY, Allan NL, Harding JH, Harris DJ & Purton JA (2006) . COMPUTATIONAL MATERIALS SCIENCE, Vol. 36(1-2) (pp 54-59)
Harris DJ, Farrow TS, Harding JH, Lavrentiev MY, Allan NL, Smith W & Purton JA (2005) . PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol. 7(8) (pp 1839-1844)
Venables JA & Harding JH (2000) Nucleation and growth of supported metal clusters at defect sites on oxide and halide (001) surfaces. JOURNAL OF CRYSTAL GROWTH, Vol. 211(1-4) (pp 27-33)
Harding JH & Harker AH (1998) . MRS Proceedings, Vol. 529
Stoneham A (1998) . Acta Materialia, Vol. 46(7) (pp 2255-2261)
Harding JH, Harris DJ & Parker SC (1997) . MRS Proceedings, Vol. 492
Harding JH & SOC BNE (1996) Modelling the effect of zinc addition on the uptake of cobalt by oxide films in PWRs. WATER CHEMISTRY OF NUCLEAR REACTOR SYSTEMS 7, VOL 1 (pp 309-316)
Carniato S, Boureau G & Harding J (1995) Simulation of oxygen vacancies at the Si-SiO2 interface. RADIATION EFFECTS AND DEFECTS IN SOLIDS, Vol. 134(1-4) (pp 179-183)
Cirolin S, Marchese M, Jacucci G, Harding JH & Mulheran PA (1994) Modelling the microstructure of thermal barrier coatings. American Society of Mechanical Engineers, Petroleum Division (Publication) PD, Vol. 62 (pp 189-198)
HARDING JH (1994) COMPUTER MODELING OF DEFECTS. DEFECTS AND DISORDER IN CRYSTALLINE AND AMORPHOUS SOLIDS, Vol. 418 (pp 315-339)
MULHERAN PA & HARDING JH (1993) THERMODYNAMIC CALCULATIONS OF STANNIC OXIDE SURFACES. JOURNAL DE PHYSIQUE IV, Vol. 3(C7) (pp 1971-1974)
MULHERAN PA, HARDING JH, KINGSWELL R, SCOTT KT & INT ASOCMET (1992) MODELING THE STRUCTURAL DEVELOPMENT IN A PLASMA SPRAYED COATING. THERMAL SPRAY : INTERNATIONAL ADVANCES IN COATINGS TECHNOLOGY (pp 749-753)
FISHER AJ, HARDING JH, HARKER AH & STONEHAM AM (1992) EMBEDDED CLUSTER CALCULATIONS OF DEFECT PROCESSES. QUANTUM MECHANICAL CLUSTER CALCULATIONS IN SOLID STATE STUDIES (pp 133-147)
MULHERAN P & HARDING JH (1991) FREE-ENERGY CALCULATIONS FOR MATERIALS. POINT DEFECTS AND RELATED PROPERTIES OF CERAMICS, Vol. 24 (pp 3-10)
Ferrari M & Harding J (1990) Residual stress profile in plasma-sprayed ceramic coatings. American Society of Mechanical Engineers, Petroleum Division (Publication) PD, Vol. 32 (pp 197-202)
Holloway NJ, Vaughan GJ, Mignanelli M, Harding J & Potter PE (1986) PRIMARY CONTAINMENT SOURCE TERM ANALYSIS FOR CDFR - HYPOTHETICAL CORE DISRUPTIVE ACCIDENTS. (pp 103-108)
Mulheran PA & Harding JH () . Materials Science Forum, Vol. 94-96 (pp 367-372)

Presentations

Harding JH . The Octagon Centre, University of ��«Ӱҵ.

Other

Finney AR, Lectez S, Freeman CL, Harding JH & Stackhouse S (2019) . Chemistry - A European Journal, 25(37).

Teaching interests

MAT1610 Introduction to Materials Chemistry
MAT1410 Biomaterials I
MAT1920 Cradle to ? Materials and the Environment
MAT4600 Multiscale materials modelling
MAT6666 Materials selection, properties and applications

Professional activities and memberships

EPSRC Peer Review College
Organiser of the annual CCP5 International Summer School in Molecular Simulation 2008-13; lecturer 2004-present
External examiner, Foundation Year, University of Newcastle
Member of management committee, Materials Chemistry Consortium (ARCHER)
Member of N8 High Performance Computing steering committee