Dr Andrew Kerridge

Senior Lecturer

Profile

Andy is a Lecturer in Computational Chemistry and an EPSRC Career Acceleration Fellow with a multidisciplinary research background. After obtaining his PhD working with Professors Marshall Stoneham and Tony Harker in the Department of Physics at University College London, he completed a postdoctoral position in the London Centre for Nanotechnology, applying quantum chemical methodologies to problems in quantum computing. He then moved to the UCL Department of Chemistry, working on problems in actinide chemistry with Professor Nik Kaltsoyannis before obtaining his Fellowship.

Andy is a member of the Chemical Theory and Computation (CTC) research section and his current research focuses on complexes of the f-elements. Decades of nuclear energy production in the UK has left us with a significant environmental and economic problem with regard to the storage and remediation of spent nuclear fuel. In order to devise improved strategies for the management of this legacy waste a deeper understanding of fundamental f-element chemistry is required. The high radioactivity of the actinides makes experimental studies of these complexes extremely challenging and so quantum mechanical simulations can play an important role in developing this understanding. Andy is currently investigating the fundamentals of bonding in actinide and lanthanide complexes and how these can be best characterised via theoretical and computational approaches.

More information about the research carried out in Andy's group can be found here.

Unravelling the electronic structure and dynamics of an isolated molecular rotary motor in the gas-phase
Beekmeyer, R., Parkes, M.A., Ridgwell, L., Riley, J.W., Chen, J., Feringa, B.L., Kerridge, A., Fielding, H.H. 27/06/2017 In: Chemical Science. 8, 6141, p. 6141-6148. 8 p.
Journal article

Quantification of f-element covalency through analysis of the electron density: insights from simulation
Kerridge, A. 25/06/2017 In: Chemical Communications. 53, 50, p. 6685-6695. 11 p.
Journal article

Actinide covalency measured by pulsed electron paramagnetic resonance spectroscopy
Formanuik, A., Ana-Maria, A., Ortu, F., Beekmeyer, R., Kerridge, A., Tuna, F., McInnes, E., Mills, D. 06/2017 In: Nature Chemistry. 9, 6, p. 578-583. 6 p.
Journal article

Ligand size dependence of U–N and U–O bond character in a series of uranyl hexaphyrin complexes: quantum chemical simulation and density based analysis
Di Pietro, P., Kerridge, A. 21/03/2017 In: Physical Chemistry Chemical Physics. 19, 11, p. 7546-7559. 14 p.
Journal article

The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes
Gregson, M., Lu, E., Mills, D., Tuna, F., McInnes, E., Hennig, C., Scheinost, A., McMaster, J., Lewis, W., Blake, A., Kerridge, A., Liddle, S. 3/02/2017 In: Nature Communications. 8, 11 p.
Journal article

Electronic structure of bulk AnO2 (An = U, Np, Pu) and water adsorption on the (111) and (110) surfaces of UO2 and PuO2 from hybrid density functional theory within the periodic electrostatic embedded cluster method
Wellington, J.P.W., Kerridge, A., Austin, J., Kaltsoyannis, N. 15/12/2016 In: Journal of Nuclear Materials. 482, p. 124-134. 11 p.
Journal article

Ionic adsorption on the brucite (0001) surface: a periodic electrostatic embedded cluster method study
Makkos, E., Kerridge, A., Austin, J., Kaltsoyannis, N. 1/12/2016 In: Journal of Chemical Physics. 145, 13 p.
Journal article

Concomitant Carboxylate and Oxalate Formation From the Activation of CO2 by a Thorium(III) Complex
Formanuik, A., Ortu, F., Inman, C., Kerridge, A., Castro, L., Maron, L., Mills, D. 27/10/2016 In: Chemistry - A European Journal.
Journal article

Topological study of bonding in aquo and bis(triazinyl)pyridine complexes of trivalent lanthanides and actinides: does covalency imply stability?
Fryer-Kanssen, I., Austin, J., Kerridge, A. 17/10/2016 In: Inorganic Chemistry. 55, 20, p. 10034-10042. 9 p.
Journal article

Should environmental effects be included when performing QTAIM calculations on actinide systems?: a comparison of QTAIM metrics for Cs2UO2Cl4, U(Se2PPh2)4 and Np(Se2PPh2)4 in gas phase, COSMO and PEECM
Wellington, J.P.W., Kerridge, A., Kaltsoyannis, N. 25/09/2016 In: Polyhedron. 116, p. 57-63. 7 p.
Journal article

Assessing covalency in equatorial U-N bonds: density based measures of bonding in BTP and isoamethyrin complexes of uranyl
Di Pietro, P., Kerridge, A. 7/07/2016 In: Physical Chemistry Chemical Physics. 18, 25, p. 16830-16839. 10 p.
Journal article

Emergence of comparable covalency in isostructural cerium(IV)– and uranium(IV)–carbon multiple bonds
Gregson, M., Lu, E., McInnes, E., Hennig, C., Scheinost, A., McMaster, J., Lewis, W., Blake, A., Kerridge, A., Liddle, S. 1/05/2016 In: Chemical Science. 7, 5, p. 3286-3297. 12 p.
Journal article

White phosphorus activation by a Th(III) complex
Formanuik, A., Ortu, F., Beekmeyer, R., Kerridge, A., Adams, R., Mills, D. 14/02/2016 In: Dalton Transactions. 45, 6, p. 2390-2393. 4 p.
Journal article

U−Oyl stretching vibrations as a quantitative measure of the equatorial bond covalency in uranyl complexes: a quantum-chemical investigation
Di Pietro, P., Kerridge, A. 19/01/2016 In: Inorganic Chemistry. 55, 2, p. 573-583. 11 p.
Journal article

Dithio- and Diselenophosphinate Thorium(IV) and Uranium(IV) complexes: molecular and electronic structure, spectroscopy, and transmetalation reactivity
Behrle, A., Kerridge, A., Walensky, J. 21/12/2015 In: Inorganic Chemistry. 54, 24, p. 11625-11636. 12 p.
Journal article

Understanding and advancing the coordination and redox chemistry of the actinides
Kerridge, A., Woodall, S., Natrajan, L.S., Kaden, P. 1/12/2015 Nuclear Future, 11
Article

Assessing covalency in Cerium and Uranium hexachlorides: a correlated wavefunction and density functional theory study
Beekmeyer, R., Kerridge, A. 9/11/2015 In: Inorganics. 3, 4, p. 482-499. 18 p.
Journal article

The importance of second shell effects in the simulation of hydrated Sr2+ hydroxide complexes
Makkos, E., Kerridge, A., Kaltsoyannis, N. 22/05/2015 In: Dalton Transactions. 44, 25, p. 11572-11581. 10 p.
Journal article

Neptunyl(VI) centred visible LMCT emission directly observable in the presence of uranyl(VI)
Woodall, S., Swinburne, A.N., Ial Banik, N., Kerridge, A., Di Pietro, P., Adam, C., Kaden, P., Natrajan, L.S. 28/03/2015 In: Chemical Communications. 51, 25, p. 5402-5405. 4 p.
Journal article

Yttrium complexes of Arsine, Arsenide, and Arsinidene Ligands
Pugh, T., Kerridge, A., Layfield, R. 27/03/2015 In: Angewandte Chemie International Edition. 54, 14, p. 4255-4258. 4 p.
Journal article

The complete-active-space self-consistent-field approach and its application to molecular complexes of the f-elements
Kerridge, A. 03/2015 In: Computational methods in lanthanide and actinide chemistry. Chichester : Wiley p. 121-144. 24 p. ISBN: 9781118688311. Electronic ISBN: 9781118688304.
Chapter

Optical excitation of MgO nanoparticles: a computational perspective
Wobbe, M.C.C., Kerridge, A., Zwijnenburg, M.A. 28/08/2014 In: Physical Chemistry Chemical Physics. 16, 40, p. 22052-22061. 10 p.
Journal article

Chemical bonding of lanthanides and actinides
Kaltsoyannis, N., Kerridge, A. 30/05/2014 In: The chemical bond. Weinheim, Germany : Wiley p. 337-356. 20 p. ISBN: 9783527333158. Electronic ISBN: 9783527664658.
Chapter

f-Orbital covalency in the actinocenes (An = Th-Cm): multiconfigurational studies and topological analysis
Kerridge, A. 18/02/2014 In: RSC Advances. 4, 24, p. 12078-12086. 9 p.
Journal article

Oxidation state and covalency in f-element metallocenes (M = Ce, Th, Pu): a combined CASSCF and topological study
Kerridge, A. 14/12/2013 In: Dalton Transactions. 42, 46, p. 16428-16436. 9 p.
Journal article

Emission spectroscopy of uranium(IV) compounds: a combined synthetic, spectroscopic and computational study
Hashem, E., Swinburne, A.N., Schulzke, C., Evans, R.C., Platts, J.A., Kerridge, A., Natrajan, L.S., Baker, R.J. 7/04/2013 In: RSC Advances. 3, 13, p. 4350-4361. 12 p.
Journal article

A RASSCF study of free base, magnesium and zinc porphyrins: accuracy versus efficiency
Kerridge, A. 14/02/2013 In: Physical Chemistry Chemical Physics. 15, 6, p. 2197-2209. 13 p.
Journal article

The coordination of Sr2+ by hydroxide: a density functional theoretical study
Kerridge, A., Kaltsoyannis, N. 14/11/2011 In: Dalton Transactions. 40, 42, p. 11258-11266. 9 p.
Journal article

Quantum chemical studies of the hydration of Sr2+ in vacuum and aqueous solution
Kerridge, A., Kaltsoyannis, N. 26/04/2011 In: Chemistry - A European Journal. 17, 18, p. 5060-5067. 8 p.
Journal article

All-electron CASPT2 study of Ce(eta(8)-C8H6)(2)
Kerridge, A., Kaltsoyannis, N. 06/2010 In: Comptes Rendus Chimie. 13, 6-7, p. 853-859. 7 p.
Journal article

Multiconfigurational studies of organometallic cerium compounds
Kaltsoyannis, N., Coates, R., Kerridge, A. 16/08/2009
Meeting abstract

A mystery solved?: photoelectron spectroscopic and quantum chemical studies of the ion states of CeCp3+
Coates, R., Coreno, M., DeSimone, M., Green, J.C., Kaltsoyannis, N., Kerridge, A., Narband, N., Sella, A. 14/08/2009 In: Dalton Transactions. 2009, 30, p. 5943-5953. 11 p.
Journal article

Are the ground states of the later actinocenes multiconfigurational?: all-electron spin-orbit coupled CASPT2 calculations on An(eta(8)-C8H8)(2) (An = Th, U, Pu, Cm)
Kerridge, A., Kaltsoyannis, N. 30/07/2009 In: Journal of Physical Chemistry A. 113, 30, p. 8737-8745. 9 p.
Journal article

Is cerocene Really a Ce(III) compound?: all-electron spin-orbit coupled CASPT2 calculations on M(eta(8)-C8H8)(2) (M = Th, Pa, Ce)
Kerridge, A., Coates, R., Kaltsoyannis, N. 26/03/2009 In: Journal of Physical Chemistry A. 113, 12, p. 2896-2905. 10 p.
Journal article

Structure-dependent exchange in the organic magnets Cu(II)Pc and Mn(II)Pc
Wu, W., Kerridge, A., Harker, A.H., Fisher, A.J. 05/2008 In: Physical Review B. 77, 18, 12 p.
Journal article

Molecular thin films: a new type of magnetic switch
Heutz, S., Mitra, C., Wu, W., Fisher, A.J., Kerridge, A., Stoneham, M., Harker, T.H., Gardener, J., Tseng, H., Jones, T.S., Renner, C., Aeppli, G. 5/11/2007 In: Advanced Materials. 19, 21, p. 3618-3622. 5 p.
Journal article

Electron dynamics in quantum gate operation
Kerridge, A., Harker, A.H., Stoneham, A.M. 18/07/2007 In: Journal of Physics: Condensed Matter. 19, 28, 7 p.
Journal article

Time dependent quantum simulations of two-qubit gates based on donor states in silicon
Kerridge, A., Savory, S., Harker, A.H., Stoneham, A.M. 31/05/2006 In: Journal of Physics: Condensed Matter. 18, 21, p. S767-S776. 10 p.
Journal article

Erratum: Importance of quantum tunneling in vacancy-hydrogen complexes in diamond (vol 95, pg 105502 2005)
Shaw, M.J., Briddon, P.R., Goss, J.P., Rayson, M.J., Kerridge, A., Harker, A.H., Stoneham, A.M. 14/11/2005 In: Physical Review Letters. 95, 21, 1 p.
Journal article

Importance of quantum tunneling in vacancy-hydrogen complexes in diamond
Shaw, M.J., Briddon, P.R., Goss, J.P., Rayson, M.J., Kerridge, A., Harker, A.H., Stoneham, A.M. 2/09/2005 In: Physical Review Letters. 95, 10, 4 p.
Journal article

Quantum behaviour of hydrogen and muonium in vacancy-containing complexes in diamond
Kerridge, A., Harker, A.H., Stoneham, A.M. 1/12/2004 In: Journal of Physics: Condensed Matter. 16, 47, p. 8743-8751. 9 p.
Journal article