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    •
    Dr Robert A Jackson

    Dr Robert A Jackson

    Title
    Reader in Computational Solid State Chemistry
    Location
    Lennard-Jones: 1.16
    Role

    Early Resolution Officer, Fourth year Tutor for Forensic Science
    Contact me
    Try my office, or e-mail me to make an appointment
    Phone
    +44(0)1782 733042
    Email
    r.a.jackson@keele.ac.uk

    Biography

    I was appointed as a Lecturer at Keele in April 1988, and since then have been promoted to Senior Lecturer (1996) and Reader (2000). Previously I did postdoctoral research at UCL, Birkbeck College and Keele. My first degree, BSc (Hons) Chemistry and Physics, was from UCL (1978), and my PhD, on computer modelling of molecular crystals, was obtained in 1984 under the supervision of Dr S H Walmsley. I got my DSc degree from the University of London in 2003.

    Research and scholarship

    My research interests are in the computer modelling of inorganic materials, particularly those with industrial applications. Most recently I have been looking at mixed metal fluorides and oxides, which have applications in electronics and in optical devices. The functionality of these materials often depends on doping by other metals, including rare earths and transition metals, and the aim is to use computer modelling to predict materials or combinations of materials which will be useful for particular applications. A range of computer modelling techniques are being employed, ranging from energy minimisation to quantum mechanical methods.

    I am also interested in the potential uses of social media in teaching and research. I have a Facebook teaching page which is an example of my activities in this area.

    Further information can be obtained from my personal web pages.

    Teaching

    Year 2

    • CHE-20042: Digital Forensics
    • CHE-20059/65: Physical & Structural Chemistry

    Year 3

    • CHE-30050: Chemistry Research Project
    • CHE-30042: Inorganic, Physical and Solid State Chemistry
    • CHE-30043: Materials Chemistry and Catalysis
    • CHE-30029: Forensic Dissertation
    • CHE-30033: Evaluation of Evidence: Explosives and Arson
    • CHE-30035: Advanced Topics in Forensics Analysis

    Selected Publications

    • Wood ND, Teter DM, Tse JS, Jackson RA, Cooke DJ, Gillie LJ, Parker SC, Molinari M. 2021. An atomistic modelling investigation of the defect chemistry of SrTiO3 and its Ruddlesden-Popper phases, Srn+1TinO3n+1 (n=1-3). JOURNAL OF SOLID STATE CHEMISTRY, Article ARTN 122523, vol. 303. link> doi>
    • Araujo RM, dos Santos Mattos EF, dos Santos Junior BF, Rezende MVDS, Valerio MEG, Jackson RA. 2021. Optical spectroscopy study of Eu-doped ions in BaAl2O4 phosphors. JOURNAL OF LUMINESCENCE, Article ARTN 118011, vol. 236. link> doi> full text>
    • Vaz Freire EB, de Sales Santos AL, da Cunha Bispo GF, Gomes MDA, Macedo ZS, Jackson RA, Giroldo Valerio ME. 2021. Intrinsic defects and non-stoichiometry in undoped cadmium silicate hosts. JOURNAL OF ALLOYS AND COMPOUNDS, Article ARTN 157580, vol. 857. link> doi> full text>
    • Jackson RA and Szaller Z. 2020. Recent Progress in Lithium Niobate. CRYSTALS, Article ARTN 780, vol. 10(9). link> doi> full text>
    • Rezende MVDS, Paschoal CWA, Valerio MEG, Jackson RA. 2020. Computer modelling of Bi12SiO20 and Bi4Si3O12: Intrinsic defects and rare earth ion incorporation. JOURNAL OF SOLID STATE CHEMISTRY, Article ARTN 121608, vol. 292. link> doi> full text>

    Full Publications Listshow

    Journal Articles

    • Wood ND, Teter DM, Tse JS, Jackson RA, Cooke DJ, Gillie LJ, Parker SC, Molinari M. 2021. An atomistic modelling investigation of the defect chemistry of SrTiO3 and its Ruddlesden-Popper phases, Srn+1TinO3n+1 (n=1-3). JOURNAL OF SOLID STATE CHEMISTRY, Article ARTN 122523, vol. 303. link> doi>
    • Araujo RM, dos Santos Mattos EF, dos Santos Junior BF, Rezende MVDS, Valerio MEG, Jackson RA. 2021. Optical spectroscopy study of Eu-doped ions in BaAl2O4 phosphors. JOURNAL OF LUMINESCENCE, Article ARTN 118011, vol. 236. link> doi> full text>
    • Vaz Freire EB, de Sales Santos AL, da Cunha Bispo GF, Gomes MDA, Macedo ZS, Jackson RA, Giroldo Valerio ME. 2021. Intrinsic defects and non-stoichiometry in undoped cadmium silicate hosts. JOURNAL OF ALLOYS AND COMPOUNDS, Article ARTN 157580, vol. 857. link> doi> full text>
    • Jackson RA and Szaller Z. 2020. Recent Progress in Lithium Niobate. CRYSTALS, Article ARTN 780, vol. 10(9). link> doi> full text>
    • Rezende MVDS, Paschoal CWA, Valerio MEG, Jackson RA. 2020. Computer modelling of Bi12SiO20 and Bi4Si3O12: Intrinsic defects and rare earth ion incorporation. JOURNAL OF SOLID STATE CHEMISTRY, Article ARTN 121608, vol. 292. link> doi> full text>
    • Araujo RM, dos Santos Mattos EF, Giroldo Valerio ME, Jackson RA. 2020. Computer Simulation of the Incorporation of V2+, V3+, V4+, V(5+)and Mo3+, Mo4+, Mo5+, Mo(6+)Dopants in LiNbO3. CRYSTALS, Article ARTN 457, vol. 10(6). link> doi> full text>
    • Gatsi NC, Mujaji M, Wamwangi D, Jackson RA. 2020. Site-selective laser spectroscopy and defect configurations of the Nd3+-Li+ centres in ZnO powders. JOURNAL OF ALLOYS AND COMPOUNDS, Article ARTN 153306, vol. 817. link> doi> full text>
    • Jackson RA and Montenari M. 2019. Computer modeling of Zircon (ZrSiO4)—Coffinite (USiO4) solid solutions and lead incorporation: Geological implications. Stratigraphy and Timescales, 217-227, vol. 4. doi> link> full text>
    • Bispo GFDC, Jackson RA, Macedo ZS, Valerio MEG. 2019. Ln(3+) doping in CaYAl3O7 and luminescence concentration quenching studied via a new computer modelling strategy. OPTICAL MATERIALS, 212-216, vol. 92. link> doi> full text>
    • Rezende MVDS, Montes PJR, Valerio MEG, Jackson RA. 2018. A computational and spectroscopic study of Dy3+ doped BaAl2O4 phosphors. OPTICAL MATERIALS, 328-332, vol. 83. link> doi> full text>
    • Jackson RA, Azough F, Freer R, Wright K. 1998. A Computer Simulation Study of Point Defects in Diopside and the Self-diffusion of Mg and Ca by a Vacancy Mechanism. Mineralogical Magazine, 599-606, vol. 62(5). doi>
    • Araujo RM, Valerio MEG, Jackson RA. 2018. Computer Modelling of Hafnium Doping in Lithium Niobate. CRYSTALS, Article ARTN 123, vol. 8(3). link> doi> full text>
    • Rezende MVDS, Santos DJ, Jackson RA, Valerio MEG, Macedo ZS. 2016. Atomistic simulation and XAS investigation of Mn induced defects in Bi12TiO20. JOURNAL OF SOLID STATE CHEMISTRY, 210-216, vol. 238. link> doi> full text>
    • Jackson RA, Fielitz P, Borchardt G. 2015. Host anion and cation diffusion in lithium niobate at high temperatures. Annales de Chimie - Science des Matériaux, 217-224, vol. 39(3-4). doi>
    • Rezende MVDS, Amaral JB, Valerio MEG, Jackson RA. 2015. Optical properties of Pr and Eu-doped SrAl12O19: A theoretical study. OPTICAL MATERIALS, 105-109, vol. 48. link> doi> full text>
    • Jeffery AJ, Gertisser R, Jackson RA, O'Driscoll B, Kronz A. 2016. On the compositional variability of dalyite, K2ZrSi6O15: a new occurrence from Terceira, Azores. MINERALOGICAL MAGAZINE, 547-565, vol. 80(4). link> doi> full text>
    • Rezende MVDS, Valerio MEG, Jackson RA. 2015. Study of Eu3+ -> Eu2+ reduction in BaAl2O4:Eu prepared in different gas atmospheres. MATERIALS RESEARCH BULLETIN, 348-351, vol. 61. link> doi> link> full text>
    • Araujo RM, Valerio MEG, Jackson RA. 2014. Computer simulation of metal co-doping in lithium niobate. PROCEEDINGS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES, Article ARTN 20140406, vol. 470(2171). link> doi> link>
    • Mujaji M, Burrows J, Jackson RA. 2014. Optical spectroscopy of the Nd3+ and Nd3+-Gd3+/Yb3+ centres in BaF2 single crystals and calculations on lanthanide-doped BaF2. JOURNAL OF LUMINESCENCE, 106-110, vol. 151. link> doi>
    • Fielitz P, Borchardt G, Ganschow S, Bertram R, Jackson RA, Fritze H, Becker K-D. 2014. Tantalum and niobium diffusion in single crystalline lithium niobate. SOLID STATE IONICS, 14-20, vol. 259. link> doi>
    • Read MSD, Walker SR, Jackson RA. 2014. Derivation of enhanced potentials for plutonium dioxide and the Calculation of lattice and intrinsic defect properties. JOURNAL OF NUCLEAR MATERIALS, 20-25, vol. 448(1-3). link> doi> link>
    • Dessovic P, Mohn P, Jackson RA, Winkler G, Schreitl M, Kazakov G, Schumm T. 2014. 229Thorium-doped calcium fluoride for nuclear laser spectroscopy. Journal of Physics: Condensed Matter, 105402, vol. 26(10). link> doi> link> full text>
    • Littleford TE, Jackson RA, Read MSD. 2013. Modelling rare-earth doped BaMgF4: a potential laser material. Phys. Stat. Sol. C, 153-155, vol. 10(2). doi>
    • Littleford TE, Jackson RA, Read MSD. 2013. An atomistic simulation study of the effects of dopants on the morphology of YLiF4. Phys. Stat. Sol. C, 156-159, vol. 10(2). doi>
    • Hehlen MP, Greco RR, Rellergert WG, Sullivan ST, DeMille D, Jackson RA, Hudson ER, Torgerson JR. 2013. Optical spectroscopy of an atomic nucleus: Progress toward direct observation of the Th-229 isomer transition. JOURNAL OF LUMINESCENCE, 91-95, vol. 133. link> doi>
    • Walker SR, Jackson RA, Read MS. 2013. Atomistic modelling of actinide oxides for nuclear fuel applications. Phys. Stat. Sol. C, 197-201, vol. 10(2). doi>
    • Amaral JB, de Moraes JR, Baldochi SL, Jackson RA, Valerio MEG. 2013. Computer modelling of undoped and Eu3+-doped LiLa(WO4)2. Phys. Stat. Sol. C, 165-167, vol. 10(2). doi>
    • Littleford TE, Jackson RA, Read MSD. 2012. An atomistic surface simulation study predicting morphologies and segregation in yttrium lithium fluoride. SURFACE SCIENCE, 1550-1555, vol. 606(19-20). link> doi>
    • Rezende MVDS, Montes PJ, Valerio MEG, Jackson RA. 2012. The optical properties of Eu3+ doped BaAl2O4: A computational and spectroscopic study. OPTICAL MATERIALS, 1434-1439, vol. 34(8). link> doi>
    • Rezende MVDS, Valerio MEG, Jackson RA. 2011. Modelling the concentration dependence of rare earth doping in inorganic materials for optical applications: Application to rare earth doped barium aluminate. OPTICAL MATERIALS, 109-118, vol. 34. link> doi>
    • Rezende MVDS, Valerio MEG, Jackson RA. 2011. Computer modelling of the reduction of rare earth dopants in barium aluminate. JOURNAL OF SOLID STATE CHEMISTRY, 1903-1908, vol. 184. link> doi>
    • Read MSD and Jackson RA. 2010. Derivation of enhanced potentials for uranium dioxide and the calculation of lattice and intrinsic defect properties. JOURNAL OF NUCLEAR MATERIALS, 293-303, vol. 406. link> doi>
    • JACKSON R, Dawson JA, Valerio MEG. 2010. Computer modelling of Bi12TiO20: intrinsic defects, ion migration and rare earth ion incorporation. Optical Materials, 1375-1376, vol. 32. link>
    • Jackson RA, Amaral JB, Valerio ME, Demille DP, Hudson ER. 2009. Computer modelling of thorium doping in LiCaAlF(6) and LiSrAlF(6): application to the development of solid state optical frequency devices. J Phys Condens Matter, 325403, vol. 21(32). doi>
    • Hammond RB, Orley MJ, Roberts KJ, Jackson RA, Quayle MJ. 2009. An Examination of the Influence of Divalent Cationic Dopants on the Bulk and Surface Properties of Ba(NO(3))(2) Associated with Crystallization. CRYSTAL GROWTH & DESIGN, 2588-2594, vol. 9(6). link> doi>
    • Araujo RM, Valerio MEG, Jackson RA. 2008. Computer modelling of trivalent metal dopants in lithium niobate. JOURNAL OF PHYSICS-CONDENSED MATTER, Article ARTN 035201, vol. 20(3). link> doi>
    • Jackson RA and Catlow CRA. 1988. Computer Simulation Studies of Zeolite Structure. Molecular Simulation, 207-224, vol. 1. doi>
    • Araujo RM, Lengyel K, Jackson RA, Kovacs L, Valerio MEG. 2007. A computational study of intrinsic and extrinsic defects in LiNbO3. JOURNAL OF PHYSICS-CONDENSED MATTER, Article ARTN 046211, vol. 19(4). link> doi>
    • Amaral JB, dos Santos MAC, Valerio MEG, Jackson RA. 2005. Computer modelling of BaY2F8: defect structure, rare earth doping and optical behaviour. APPLIED PHYSICS B-LASERS AND OPTICS, 841-846, vol. 81(6). link> doi>
    • Jackson RA and Valerio MEG. 2005. A new interatomic potential for the ferroelectric and paraelectric phases of LiNbO3. JOURNAL OF PHYSICS-CONDENSED MATTER, 837-843, vol. 17. link> doi>
    • Jackson RA, Valerio MEG, Couto Dos Santos MA, Amaral JB. 2004. Computer modelling of mixed metal fluorides for optical applications. Dalton Transactions. doi>
    • Kilo M, Taylor MA, Argirusis C, Borchardt G, Weber S, Scherrer H, Jackson RA. 2004. Lanthanide transport in stabilised zirconias: interrelation between ionic radius and diffusion coefficient. Journal of Chemical Physics, 5482-5487, vol. 121(11). doi>
    • Jackson RA and Valerio MEG. 2004. A computational study of the structure, lattice and defect properties of pure and doped F- and OH--topaz. JOURNAL OF PHYSICS-CONDENSED MATTER, S2771-S2779, vol. 16(27). link> doi>
    • Jackson RA and Valerio MEG. 2004. A computational study of the structure, lattice and defect properties of F- and OH-tapaz. Journal pf Physics: Condensed Matter.
    • Amaral JB, Lewis AC, Valerio MEG, Jackson RA. 2004. Computer modelling of divalent, trivalent and tetravalent ion doping in LiCaAIF6 and LiSrAIF6. Journal of Physics: Condensed Matter, 8733-8741, vol. 16. doi>
    • Jackson RA, Lewis AC, Amaral JB. 2004. Computer modelling of divalent, trivalent and tetravalent ion doping in LiCaAlF6 and LiSrAlF6. Journal of Physics: Condensed Matter, 8733-8741, vol. 16.
    • Jackson RA and Valerio MEG. 2004. Computer modelling of doping and ion implantation of F- and OH- topaz. Nuclear Instruments and Methods in Physics Research B, 42-45, vol. 218C.
    • Jackson RA and Valerio MEG. 2004. Computer modelling of radiation generated defects in BGO scintillators. Nuclear Instruments and Methods in Physics Research B, 145-157, vol. 218C. doi>
    • Amaral JB, Valerio MEG, Couto dos Santos MA, Jackson RA. 2004. Defect simulation and crystal field studies of Ln3+: LiCaAlF6 and LiSrAlF6. Nuclear Instruments and Methods in Physics Research B, 232-235.
    • Kilo M, Taylor MA, Argirusis C, Borchardt G, Jackson RA, Schulz O, Martin M, Weller M. 2004. Modelling of cation diffusion in oxygen ion conductors using molecular dynamics. Solid State Ionics, 823-827, vol. 175. doi> link>
    • Kilo M, Jackson RA, Borchardt G. 2003. Computer modelling if ion migration in zirconia. Philosophical Magazine, 3309-3325, vol. 83(29). doi>
    • Amaral JB, Plant DF, Valerio MEG, Jackson RA. 2003. Computer modelling of defect structure and rare earth doping in LiCaAlF6 and LiSrAlF6. Journal of Physics: Condensed Matter, 2523-2533, vol. 15. doi>
    • Kilo M, Argirusis C, Borchardt G, Jackson RA. 2003. Oxygen Diffusion in Yttria Stabilised Zirconia - Experimental Results and Molecular Dynamics Calculations. Physical Chemistry, Chemical Physics, 2219-2224, vol. 5(11). doi>
    • Couto dos Santos MA, Valerio MEG, Jackson RA, de Lima JF. 2003. Predicting the spectroscopic behaviour of Eu3+ in BaLiF3 via defect modelling and crystal field parameter calculations. Chemical Physics Letters, 90-94, vol. 369(1-2). doi>
    • Wahid FA, Thomson GB, Graham GM, Jackson RA. 2002. A computational study of the effect of doping divalent cations in barite. JOURNAL OF MATERIALS CHEMISTRY, 3799-3802, vol. 12. link> doi>
    • Jackson RA and Valerio MEG. 2002. A computational study of the influence of oxygen incorporation on crystal growth and contamination in BaLiF3. Nuclear Instruments and Methods in Physics Research B, 32-36, vol. 191. doi>
    • Jackson RA, Plant D, Valerio M, Amaral J. 2002. COMPUTER MODELLING OF DEFECTS AND DOPANTS IN MIXED METAL FLUORIDES. Radiation Effects and Defects in Solids, 795-798, vol. 157.
    • Wondraczek L, Heide G, Kilo M, Nedeljkovic N, Borchardt G, Jackson RA. 2002. Computer simulation of defect structure in sillimanite and mullites. Physics and Chemistry of Minerals, 341-345, vol. 29. doi>
    • Kilo M, Fundenberger C, Argirusis C, Taylor MA, Borchardt G, Weller M, Jackson RA. 2002. Experimental and theoretical investigation of oxygen diffusion in stabilised zirconia. RADIATION EFFECTS AND DEFECTS IN SOLIDS, 1077-1083, vol. 157. link> doi>
    • Barreto LS, Mort KA, Jackson RA, Alves O. 2002. Molecular Dynamics simulation of anhydrous lithium acetate: crystalline and molten phases. Journal of Non-Crystalline Solids, 281-290, vol. 303(2). doi>
    • Braybrook AL, Heywood BR, Jackson RA, Pitt K. 2002. Parallel Computational and experimental studies of the morphological modification of calcium by cobalt. Journal of Crystal Growth, 366-344, vol. 243. doi>
    • Jackson RA, Valerio MEG, de Lima JF. 2001. Computer Modelling of Materials for Solid State Laser Applications. Radiation Effects and Defects in Solids, 243-247, vol. 154(3-4). doi>
    • Jackson RA. 2001. Computer modelling of molecular ionic materials. Current Opinion in Solid State and Materials Science, 463-467, vol. 5. doi>
    • Jackson RA, Valerio MEG, de Lima JF. 2001. Computer modelling of rare-earth dopants in BaLiF3. Journal of Physics: Condensed Matter, 2147-2154, vol. 13(10). doi>
    • Rush GE, Chadwick AV, Jackson RA, Valerio MEG de Lima JF. 2001. Ionic Transport in Barium Lithium Fluoride. Radiation Effects and Defects in Solids, 393-396, vol. 155(1-4). doi>
    • Barreto LS, Mort KA, Jackson RA, Alves OL. 2000. Computer modelling of solid alkali metal carboxylates. JOURNAL OF PHYSICS-CONDENSED MATTER, 9389-9394, vol. 12. link> doi>
    • Valerio MEG, Jackson RA, de Lima JF. 2000. Derivation of potentials for the rare-earth fluorides, and the calculation of lattice and intrinsic defect properties. JOURNAL OF PHYSICS-CONDENSED MATTER, 7727-7734, vol. 12. link> doi>
    • Mort KA, Wilde PJ, Jackson RA. 1999. Computer modelling of ammonium nitrate: I. Development of potentials and calculation of lattice properties. JOURNAL OF PHYSICS-CONDENSED MATTER, 3967-3972, vol. 11(20). link> doi>
    • Mort KA, Jackson RA, Wilde PJ. 1999. The road to ammonium nitrate. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, U708, vol. 217. link>
    • Channon YM, Catlow CRA, Jackson RA, Owens SL. 1998. A computational investigation into the effect of extra framework cations on the structural composition of heulandite-type zeolites. MICROPOROUS AND MESOPOROUS MATERIALS, 153-161, vol. 24. link> doi>
    • Clydesdale G, Roberts KJ, Telfer GB, Saunders VR, Pugh D, Jackson RA, Meenan P. 1998. Prediction of the polar morphology of sodium chlorate using a surface-specific attachment energy model. JOURNAL OF PHYSICAL CHEMISTRY B, 7044-7049, vol. 102(36). link> doi>
    • Channon YM, Catlow CRA, Gorman AM, Jackson RA. 1998. Grand canonical Monte Carlo investigation of water adsorption in heulandite-type zeolites. JOURNAL OF PHYSICAL CHEMISTRY B, 4045-4048, vol. 102. link> doi>
    • Valerio MEG, Jackson RA, de Lima JF. 1998. Computer modelling of BaLiF3: II. Defects produced by divalent dopants. JOURNAL OF PHYSICS-CONDENSED MATTER, 3353-3358, vol. 10. link> doi>
    • Telfer GB, Gale JD, Roberts KJ, Jackson RA, Wilde PJ, Meenan P. 1997. A transferable interatomic potential for alkali chlorates and bromates. ACTA CRYSTALLOGRAPHICA SECTION A, 415-420, vol. 53. link> doi>
    • Jackson RA, Valerio MEG, de Lima JF. 1996. Computer modelling of BaLiF3 .1. Interionic potentials and intrinsic defects. JOURNAL OF PHYSICS-CONDENSED MATTER, 10931-10937, vol. 8. link> doi>
    • Heide G, Follner H, Jackson RA, Wilde PJ. 1996. The Nature of One-sided Intergrowths on the (001) Surface of Triclinic Centrosymmetric K2Cr2O7. Part II. CRYSTAL RESEARCH AND TECHNOLOGY, 959-967, vol. 31(8). link> doi>
    • Jackson RA, Meenan PA, Price GD, Roberts KJ, Telfer GB, Wilde PJ. 1995. Deriving empirical potentials for molecular ionic materials. MINERALOGICAL MAGAZINE, 617-622, vol. 59. link> doi>
    • ROBERTS KJ, TELFER GB, JACKSON RA, WILDE PJ, MEENAN P. 1995. DETERMINATION OF A TRANSFERABLE INTERATOMIC POTENTIAL FOR ALKALI-METAL PERCHLORATES AND ITS APPLICATION TO MORPHOLOGICAL MODELING. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 4133-4138, vol. 91(22). link> doi>
    • WRIGHT K and JACKSON RA. 1995. COMPUTER-SIMULATION OF THE STRUCTURE AND DEFECT PROPERTIES OF ZINC-SULFIDE. JOURNAL OF MATERIALS CHEMISTRY, 2037-2044, vol. 5(11). link> doi>
    • AKHTAR MJ, AKHTAR ZN, JACKSON RA, CATLOW CRA. 1995. COMPUTER-SIMULATION STUDIES OF STRONTIUM-TITANATE. JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 421-428, vol. 78(2). link> doi>
    • Jackson RA. 1995. Computer Modelling of Defects in Solids. Pesq. Desenv. Tecnol., 6-8, vol. 19.
    • Jackson RA. 1995. Computer Modelling of Molecular Ionic Materials. Pesq. Desenv. Tecnol., 9-10, vol. 19.
    • Jackson RA, Valerio MEG, de Lima JF. 1995. Defects Induced by Divalent Impurities in BaLiF3. Pesq. Desenv. Tecnol., 11-13, vol. 19.
    • BRENNAN D, BELL RG, CATLOW CRA, JACKSON RA. 1994. THE COMPUTER MODELING OF LANTHANUM IN THE FRAMEWORK OF FAUJASITE .1. ANHYDROUS LANTHANUM ZEOLITE. ZEOLITES, 650-659, vol. 14(8). link> doi>
    • BRENNAN D, CATLOW CRA, JACKSON RA. 1994. THE COMPUTER MODELING OF LANTHANUM IN THE FRAMEWORK OF FAUJASITE .2. HYDRATED LANTHANUM ZEOLITE-Y. ZEOLITES, 660-674, vol. 14(8). link> doi>
    • PAVESE A, CATTI M, PRICE GD, JACKSON RA. 1992. INTERATOMIC POTENTIALS FOR CACO3 POLYMORPHS (CALCITE AND ARAGONITE), FITTED TO ELASTIC AND VIBRATIONAL DATA. PHYSICS AND CHEMISTRY OF MINERALS, 80-87, vol. 19. link>
    • BELL RG, JACKSON RA, CATLOW CRA. 1992. LOWENSTEIN'S RULE IN ZEOLITE-A - A COMPUTATIONAL STUDY. ZEOLITES, 870-871, vol. 12. link> doi>
    • JACKSON RA, HUNTINGTON JE, BALL RGJ. 1991. DEFECT CALCULATIONS IN SOLIDS BEYOND THE DILUTE LIMIT. JOURNAL OF MATERIALS CHEMISTRY, 1079-1080, vol. 1. link> doi>
    • BUSH TS, CHADWICK AV, CATLOW CRA, GREAVES GN, JACKSON RA. 1991. STRUCTURE IN RARE-EARTH DOPED BETA''-ALUMINA. RADIATION EFFECTS AND DEFECTS IN SOLIDS, 487-492, vol. 119-121. link> doi>
    • JACKSON RA, CATLOW CRA, THOMAS JM. 1991. THE CATALYTIC ACTIVITY AND DEFECT STRUCTURE OF ZINC CHROMATE. CATALYSIS LETTERS, 385-390, vol. 8. link> doi>
    • CATLOW CRA, JACKSON RA, THOMAS JM. 1990. COMPUTATIONAL STUDIES OF SOLID OXIDATION CATALYSTS. JOURNAL OF PHYSICAL CHEMISTRY, 7889-7893, vol. 94. link> doi>
    • DEN OUDEN CJJ, JACKSON RA, CATLOW CRA, POST MFM. 1990. LOCATION OF NI-2+ IONS IN SILICEOUS MORDENITE - A COMPUTATIONAL APPROACH. JOURNAL OF PHYSICAL CHEMISTRY, 5286-5290, vol. 94. link> doi>
    • TOMLINSON SM, JACKSON RA, CATLOW CRA. 1990. A COMPUTATIONAL STUDY OF ZEOLITE-BETA. JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 813-816. link> doi>
    • Jackson RA, Aloisi G, Barnes P, Richards AJ. 1990. A New Method for determining Water-Cation Short-Range Potentials for modelling Water in Aluminosilicate Lattices. Journal of Chemical Physics, 3573-3577, vol. 93.
    • Jackson RA, Bell RG, Catlow CRA. 1990. Computer Simulation of the Monoclinic Distortion in Silicalite. Chemical Communications, 782-783.
    • Jackson RA, Gale JD, Cheetham AK, Catlow CRA, Thomas JM. 1990. Computing the Structure of Pillared Clays. Advanced Materials, 487-490, vol. 2.
    • Jackson RA, den Ouden CJJ, Smit B, Wielers AFH, Nowak AK. 1989. Computer Simulations in Zeolite Catalysis Research. Molecular Simulation, 121-136, vol. 4. doi>
    • Catlow CRA, Cox PA, Jackson RA, Parker SC, Price GD, Tomlinson SM, Vetrivel R. 1989. INDUSTRIAL APPLICATIONS OF SIMULATION STUDIES IN SOLID STATE CHEMISTRY. MOLECULAR SIMULATION, 49-+, vol. 3(1-3). link> doi>
    • Den Ouden CJJ, Smit B, Wielers AFH, Jackson RA, Nowak AK. 1989. COMPUTER SIMULATIONS IN ZEOLITE CATALYSIS RESEARCH (vol 4, pg 121, 1989). MOLECULAR SIMULATION, 251, vol. 4(4). link>
    • Jackson RA, Bell RG, Catlow CRA. 1989. Computer Simulation Studies of Zeolite Structure and Stability. Studies in Surface Science and Catalysis, 203-208, vol. 52.
    • Jackson RA, Catlow CRA, Cox PA, Parker SC, Price GD, Tomlinson SM, Vetrivel R. 1989. Industrial Applications of Simulation Studies in Solid State Chemistry. Molecular Simulation, 46-69, vol. 3.
    • Jackson RA, van Beest BWH, de Man AJ, van Santen RA, Catlow CRA. 1989. Rigid Ion and Shell Model Calculations of IR Spectra of Zeolitic Silica Polymorphs. Studies in Surface Science and Catalysis, 763-771, vol. 49B.
    • OOMS G, VAN SANTEN RA, DEN OUDEN CJJ, JACKSON RA, CATLOW CRA. 1988. RELATIVE STABILITIES OF ZEOLITIC ALUMINOSILICATES. JOURNAL OF PHYSICAL CHEMISTRY, 4462-4465, vol. 92. link> doi>
    • CATLOW CRA, FREEMAN CM, ISLAM MS, JACKSON RA, LESLIE M, TOMLINSON SM. 1988. INTERATOMIC POTENTIALS FOR OXIDES. PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES, 123-136, vol. 58. link> doi>
    • Jackson RA, Ooms G, van Santen RA, Catlow CRA. 1988. The Relative Stability of Zeolite Frameworks. Studies in Surface Science and Catalysis, 317-322, vol. 37.
    • JACKSON RA, CATLOW CRA, MURRAY AD. 1987. POINT DEFECT CALCULATIONS ON UO2. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1171-1176, vol. 83. link> doi>
    • Jackson RA, Aloisi G, Guidelli R, Barnes P. 1987. A New Method to determine the Interfacial Tension in Monte Carlo Simulations. Chemical Physics Letters, 343-346, vol. 133.
    • Jackson RA, Murray AD, Harding JH, Catlow CRA. 1986. The Calculation of Basic Defect Parameters in UO2. Philosophical Magazine: Structure and Properties of Condensed Matter, 27-50, vol. 53.
    • Jackson RA, Aloisi G, Clarke SM, Barnes P, Guidelli R. 1986. The Structure of Water at a Neutral Interface. Journal of Electroanalytical Chemistry, 131-137, vol. 206.
    • Jackson RA, Murray AD, Catlow CRA. 1985. Calculation of the Basic Defect Energies of UO2. Physica B: Condensed Matter, 136-138, vol. 131.
    • Jackson RA, Murray AD, Catlow CRA. 1985. Theoretical Studies of the Point Defect Properties of UO2. Annales de Chimie: Science des Materiaux, 227-237, vol. 10.
    • Jackson RA and Catlow CRA. 1985. Trapping and Solution of Fission Xe in UO2: Part 1. Single Gas Atoms and Solution from Underpressurised Bubbles. Journal of Nuclear Materials, 161-166, vol. 127.
    • Jackson RA and Catlow CRA. 1985. Trapping and Solution of Fission Xe in UO2: Part 2. Solution from Small Overpressurised Bubbles. Journal of Nuclear Materials, 167-169, vol. 127.
    • Jackson RA and Catlow CRA. 1984. Trapping and Solution of Fission Xe on UO2. European Applied Research Reports, 1333-1345, vol. 5(6).

    Chapters

    • Jackson R and Montenari M. Computer modelling of Zircon (ZrSiO4)—Coffinite (USiO4) solid solutions and lead incorporation: Geological implications. In Stratigraphy & Timescales volume 4. Elsevier. doi> full text>
    • Jackson RA, Watson GW, Tchaufeser P, Wall A. 1997. Lattice Energy and Free Energy Minimisation Techniques. In Computer Modelling in Inorganic Crystallography. Catlow CRA (Ed.). Academic Press.
    • Jackson RA, Parker SC, Tchaufeser P. 1992. Lattice Energy and Free Energy Minimisation of Zeolites. In Modelling of Structure and Reactivity in Zeolites. Catlow CRA (Ed.). Academic Press.
    • Jackson RA. 1990. Computer Simulation of Inorganic Materials. In Computer Modelling of Fluids, Polymers and Solids. Catlow CRA, Parker SC, Allen MP (Eds.). (vol. 293).
    • Jackson RA, Miller SM, Fincham D, Mitchell PJ. 1990. Transputer Molecular Dynamics with Electrostatic Forces. In Applications of Transputers. Pritchard DJ and Scott CJ (Eds.). (vol. 2).
    • Jackson RA, Vessal B, Catlow CRA. 1989. Modelling of Inorganic Crystals and Glasses using Many-Body Potentials. In Atomistic Simulation of Matter : beyond Pair Potentials. Vitek V and Srolovitz DJ (Eds.). Plenum.
    • Jackson RA, Catlow CRA, Barnes P. 1986. Computer Simulation of Hydrated Minerals. In Water and Aqueous Solutions. Neilson GW and Enderby JE (Eds.). Bristol: Adam Hilger.

    Other

    • Bispo GFDC, Jackson RA, Valerio MEG. 2018. Modelling of Intrinsic Defects in CaYAl3O7. ACTA PHYSICA POLONICA A (pp. 781-784, vol. 133). link> doi>
    • Jackson RA, Kavanagh LA, Snelgrove RA. 2017. Computer modelling of double doped SrAl2O4 for phosphor applications. 2016 INTERNATIONAL CONFERENCE ON DEFECTS IN INSULATING MATERIALS (ICDIM 2016) (vol. 169). link> doi>
    • Valerio MEG, Jackson RA, Bridges FG. 2017. EXAFS simulations in Zn-doped LiNbO3 based on defect calculations. 2016 INTERNATIONAL CONFERENCE ON DEFECTS IN INSULATING MATERIALS (ICDIM 2016) (vol. 169). link> doi>
    • Jackson RA, Valerio MEG, IOP. 2015. Modelling the concentration dependence of doping in optical materials. 12TH EUROPHYSICAL CONFERENCE ON DEFECTS IN INSULATING MATERIALS (EURODIM 2014) (vol. 80). link> doi> full text>
    • Hehlen MP, Boncher WL, Melgaard SD, Blair MW, Jackson RA, Littleford TE, Love SP. 2014. Preparation of high-purity LiF, YF3, and YbF3 for laser refrigeration. LASER REFRIGERATION OF SOLIDS VII (vol. 9000). link> doi>
    • Jackson RA, Maddock EM, Valerio MEG. 2010. Computer modelling of rare earth dopants in KYF materials: bulk and surface studies. In L. Kovacs & G. Corradi (Eds.). IOP Conference Series: Materials Science and Engineering (p. 012014, vol. 15). IOP Science. doi> link>
    • Jackson RA, Littleford TE, Newby GE, Plant DF. 2010. Computer modelling of rare earth doping in BMF and YLF. In L. Kovacs & G. Corradi (Eds.). IOP Conference Series: Science and Engineering (p. 012048, vol. 15). IOP Science. doi> link>
    • Jackson RA, Rellergert WG, Sullivan ST, DeMille D, Greco RR, Hehlen MP, Torgerson JR, Hudson ER. 2010. Progress towards fabrication of 229Th-doped high energy band-gap crystals for use as a solid-state optical frequency reference. In L. Kovacs & G. Corradi (Eds.). IOP Conference Series: Materials Science and Engineering (p. 012005, vol. 15). IOP Science. doi> link>
    • Jackson RA, Dawson JA, Valerio MEG, Macedo ZS. 2010. Computer modelling of Bi(12)TiO(20): Intrinsic defects, ion migration and rare earth ion incorporation. OPTICAL MATERIALS (pp. 1375-1376, vol. 32). link> doi>
    • Jackson RA, Maddock EM, Valerio MEG. 2010. Computer modelling of intrinsic defects and rare earth doping in KYF4, K2YF5 and KY3F10. In MEG. Valerio & RA. Jackson (Eds.). Journal of Physics: Conference Series (p. 012040, vol. 249). doi>
    • Jackson RA, Maddock EM, Valerio MEG. 2010. Computer modelling of intrinsic defects and rare earth doping in KYF4, K2YF5 and KY3F10. In MEG. Valerio & RA. Jackson (Eds.). Journal of Physics: Conference Series (p. 012040, vol. 249). doi>
    • Jackson RA, Rezende MVDS, Valerio MEG. 2010. Intrinsic Defects in Strontium Aluminates studied via Computer Simulation Technique. In MEG. Valerio & RA. Jackson (Eds.). Journal of Physics: Conference Series (p. 012042, vol. 249). IOP Science. doi> link>
    • Jackson RA, Rezende MVDS, Valerio MEG. 2010. Intrinsic Defects in Strontium Aluminates studied via Computer Simulation Technique. In MEG. Valerio & RA. Jackson (Eds.). Journal of Physics: Conference Series (p. 012042, vol. 249). IOP Science. doi> link>
    • Jackson RA, Maddock EM, Valerio MEG. 2008. Computer modelling of doped mixed metal fluorides and oxides for device applications: Rare earth, sodium and barium doped KYF4. NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS (pp. 2715-2718, vol. 266). link> doi>
    • Valerio MEG, Ribeiro VG, de Mello ACS, dos Santos MAC, Baldochi SL, Mazzocchi VL, Parente CBR, Jackson RA, Amaral JB. 2007. Structural and optical properties of Nd- and Tb-doped BaY(2)F(8). OPTICAL MATERIALS (vol. 30). link> doi>
    • de Mello ACS, Santana GC, Jackson RA, Macedo ZS, Moreira SGC, Valerio MEG. 2007. Optical properties of pure and Cr3+ doped BGO ceramic scintillators. PHYSICA STATUS SOLIDI C - CURRENT TOPICS IN SOLID STATE PHYSICS, VOL 4, NO 3 (pp. 980-+, vol. 4). link> doi>
    • Jackson RA, Araujo RM, Lengyel K, Valerio MEG. 2007. Computer modelling of intrinsic and substitutional defects in LiNbO3. Physica Status Solidi C - Current Topics in Solid State Physics (pp. 1201-1204, vol. 4). doi>
    • Jackson RA, Valerio MEG, Amaral JB, dos Santos MAC, Maddock EM. 2007. Computer modelling of the optical properties of rare-earth doped metal fluorides. Physica Status Solidi C - Current Topics in Solid State Physics (pp. 1185-1188, vol. 4). link> doi>
    • Jackson RA, Blacklocks AN, Chadwick AV, Hutton KB. 2007. Investigation into thallium sites and defects in doped scintillation crystals. Physica Status Solidi. C: Current Topics in Solid State Physics (pp. 1008-1011, vol. 4). doi>
    • Jackson RA, Valerio MEG, Lengyel K, Kovacs L. 2005. A new potential for lithium niobate and its application in the calculation of structure and defect properties. 12th International Symposium on Electrets (ISE 12), Proceedings (pp. 469-471). link> doi>
    • Jackson RA, Valerio MEG, Amaral JB, dos Santos MAC. 2005. Computer modelling of the optical behaviour of rare earth dopants in BaY2F8. Physica Status Solidi. C: Current Topics in Solid State Physics (pp. 476-480, vol. 2).
    • Jackson RA, Valerio MEG, Macedo ZS. 2005. Modelling intrinsic defects and transport mechanisms in the bismuth germanate crystalline system. Physica Status Solidi. C: Current Topics in Solid State Physics (pp. 485-489, vol. 2).
    • Jackson RA and Valerio MEG. 2004. Computer modelling of doping and ion implantation in F-/OH--topaz. NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS (pp. 42-45, vol. 218). link> doi>
    • Amaral JB, Valerio MEG, dos Santos MAC, Jackson RA. 2004. Defect simulation and crystal field studies of Ln(3+): LiCaAlF6 and LiSrAlF6. NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS (pp. 232-235, vol. 218). link> doi>
    • Jackson RA, Valerio MEG, dos Santos MAC, Amaral JB. 2004. Computer modelling of mixed metal fluorides for optical applications. Dalton Transactions: an international journal of inorganic chemistry (pp. 3098-3100, vol. 19).
    • Jackson RA, Valerio MEG, dos Santos MAC, Amaral JB. 2004. Computer modelling of the optical properties of doped mixed metal fluoride materials. Advances in Science and Technology (vol. 42).
    • Jackson RA, Valerio MEG, Heide G. 2002. Computer Modelling of the Structure, Lattice and Defect Properties Of F- And OH- Topaz. Radiation Effects and Defects in Solids (pp. 845-848, vol. 157).
    • Jackson RA, Barreto LS, Alves OL. 2002. Molecular Dynamics Simulations of the Structure and Properties of Lithium Acetate Glass. Physics and Chemistry of Glasses (pp. 119-123, vol. 43C).
    • Jackson RA, Valerio MEG, de Lima JF. 2001. Computer Modelling of Defects and Dopants in Barium Lithium Fluoride. In P. Vincenzini & V. Buscaglia (Eds.). Mass and Charge Transport in Inorganic Materials: Fundamentals to Devices (vol. 1).
    • Jackson RA and Mort KA. 2000. Computer modelling of complex molecular ionic materials. COMPUTATIONAL MATERIALS SCIENCE (pp. 230-233, vol. 17). link> doi>
    • Jackson RA and Mort KA. 1999. COMPUTER MODELLING OF COMPLEX MOLECULAR IONIC MATERIALS. ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES (p. 216, vol. 55). link>
    • Valerio MEG, de Lima JF, Jackson RA. 1999. Computer modelling of BaLiF3: III. Substitution of La3+, Nd3+ and Y3+ rare earth ions. RADIATION EFFECTS AND DEFECTS IN SOLIDS (pp. 249-254, vol. 151). link> doi>
    • Valerio MEG, de Lima JF, Jackson RA. 1999. Computer modelling of BaLiF3: III. Substitution of La3+, Nd3+ and Y3+ rare earth ions. RADIATION EFFECTS AND DEFECTS IN SOLIDS (pp. 249-254, vol. 151). link> doi>
    • Heide G, Follner H, Jackson RA, Wilde PJ. 1999. Computer simulations of crystal growth defects. RADIATION EFFECTS AND DEFECTS IN SOLIDS (pp. 317-323, vol. 151). link> doi>
    • Heide G, Follner H, Jackson RA, Wilde PJ. 1999. Computer simulations of crystal growth defects. RADIATION EFFECTS AND DEFECTS IN SOLIDS (pp. 317-323, vol. 151). link> doi>
    • Jackson RA, Roberts KJ, Telfer GB, Meenan P. 1998. Morphological Modelling of Inorganic Particulates: Alkali Perchlorate Systems. Proceedings of IChemE World Congress on Particle Technology.
    • Jackson RA. 1996. COMPUTER MODELLING OF DEFECTS IN INORGANIC MATERIALS. ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES (p. C92, vol. 52). link> doi>
    • Jackson RA, Green DA, Harlow RL, Meenan P, Robertson DC, Telfer GB, Roberts KJ, Wilde PJ. 1996. Characterisation of Crystal Structure/Morphology Relationships. Proceedings of The 5th World Congress of Chemical Engineering (pp. 692-697, vol. 5).
    • Telfer GB, Wilde PJ, Jackson RA, Meenan P, Roberts KJ. 1996. Potential fitting to molecular ionic materials. PHILOSOPHICAL MAGAZINE B-PHYSICS OF CONDENSED MATTER STATISTICAL MECHANICS ELECTRONIC OPTICAL AND MAGNETIC PROPERTIES (pp. 147-152, vol. 73). link> doi>
    • Jackson RA, Huntington JE, Ball RGJ. 1995. Computer simulation of uranium oxide phases. RADIATION EFFECTS AND DEFECTS IN SOLIDS (pp. 161-164, vol. 134). link> doi>
    • Channon YM, Catlow CRA, Jackson RA, Owens SL. 1995. Loading and location of water molecules in the zeolite clinoptilolite. Studies in Surface Science and Catalysis (pp. 117-124, vol. 97). link>
    • Jackson RA, Meenan P, Pugh D, Roberts KJ, Wilde PJ, Telfer GB. 1994. Derivation of Interatomic Force-Fields for Alkali Perchlorates and their Application to Morphological Modelling. The 1994 IChemE Research Event (pp. 698-700, vol. 2).
    • Jackson RA, Bell RG, Catlow CRA. 1993. Computer Modelling of Microporous Solids. In R. von Ballmoos, JB. Higgins & MMJ. Treacy (Eds.). Proceedings from the Ninth International Zeolite Conference, Montreal 1992 (pp. 703-708, vol. 1).
    • Jackson RA, Valerio MEG, de Lima JF, Blak AR. 1993. Defect Simulations in CaF2 with AlF3, YbF3 and LaF3. In O. Kanert & J-M. Spaeth (Eds.). Defects in Insulating Materials (pp. 786-791, vol. 2). World Scientific.
    • JACKSON RA and PRICE GD. 1992. A TRANSFERABLE INTERATOMIC POTENTIAL FOR CALCIUM CARBONATE. MOLECULAR SIMULATION (pp. 175-177, vol. 9). link> doi>

    School address

    Lennard-Jones School of Chemical and Physical Sciences
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    Keele University
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    ST5 5BG, UK
    Phone: +44 (0)1782 734921 (School Office)
    Email: chemistry@keele.ac.uk, forensics@keele.ac.uk, physics@keele.ac.uk

    Programme directors

    Chemistry and Medicinal Chemistry
    Dr Matthew O'Brien
    Tel : +44 (0)1782 734371
    Email : m.obrien@keele.ac.uk

    Forensic Science
    Dr Richard Darton
    Tel : +44 (0)1782 733345
    Email : r.j.darton@keele.ac.uk

    Physics and Astrophysics
    Dr Arumugam Mahendrasingam
    Tel : +44 (0)1782 733312
    Email : a.mahendrasingam@keele.ac.uk

     

    Admission tutors

    Chemistry and Medicinal Chemistry
    Dr Natalie Capel
    Tel : +44 (0)1782 733584
    Email : n.j.capel@keele.ac.uk

    Forensic Science
    Victoria Cartwright
    Tel : +44 (0)1782 733584
    Email : v.cartwright@keele.ac.uk

    Physics and Astrophysics
    Dr Patrick Connell
    Tel : +44 (0)1782 733892
    Email : physics@keele.ac.uk or p.j.connell@keele.ac.uk