Dr Dino Spagnoli

Field of interest

Computer simulations of the mineral water interface, structure and reactivity of mineral surfaces, molecular dynamics simulation of the aggregation of mineral nanoparticles, quantum mechanical methods applied to the adsorption of species on mineral surfaces.

Biography

2007-2008: Postdoctoral research assistant under the supervision of Prof Jill Banfield and Dr Glenn Waychunas (University of California, Berkeley and LBNL, USA)
2003-2006: PhD in Computational Chemistry under the supervision of Prof Steve Parker (University of Bath, UK)
1999-2003: MChem with a year in industry (University of Kent, UK)

Selected Publications

• D Spagnoli, K Refson, K Wright, J.D Gale, Density functional theory study of the relative stability of the iron disulfides, Pyrite and Marcasite, Phys. Rev. B, 81, 094106, 2010
• D Spagnoli, B Gilbert, G.A Waychunas, J.F Banfield, Prediction of the effects of size and morphology on the structure of water around hematite nanoparticles, Geochimica et Cosmochimica Acta, 73 (14), 4023-4033, 2009
• D Spagnoli, J.F Banfield, S.C Parker, Free Energy Change of Aggregation of Nanoparticles, Journal of Physical Chemistry C, 112: 14731-14736 2008.
• P Martin, D Spagnoli, A Marmier, S.C Parker, D.C Sayle, G Watson, Application of molecular dynamics DL_POLY codes to interfaces of inorganic materials, Molecular Simulation, 32 (12-13): 1079-1093 OCT-NOV 2006.
• D Spagnoli, D.J Cooke, S Kerisit, S.C Parker, Molecular Dynamics Simulations of the Interaction between the Surfaces of Polar Solids and Aqueous Solutions, Journal of Materials Chemistry, 16: 1997-2006, 2006.
• D Spagnoli, S Kerisit and S.C Parker, Atomistic simulations of the free energies of dissolution ofions from flat and stepped calcite surfaces, Journal of Crystal Growth, 294: 103-110, 2006.