Imperial College London

Dr Giuseppe Mallia

Faculty of Natural SciencesDepartment of Chemistry

Computational Chemistry Support Specialist



g.mallia Website




B 321Bessemer BuildingSouth Kensington Campus








Ahmad EA, Tileli V, Kramer D, et al., 2015, Optimizing Oxygen Reduction Catalyst Morphologies from First Principles, Journal of Physical Chemistry C, Vol:119, ISSN:1932-7447, Pages:16804-16810

Chen VH-Y, Mallia G, Martinez-Casado R, et al., 2015, Surface morphology of CuFeS2: The stability of the polar (112)/((112)over-bar) surface pair, Physical Review B, Vol:92, ISSN:1098-0121

Korotana R, Mallia G, Gercsi Z, et al., 2014, Hybrid density functional study of structural, bonding, and electronic properties of the manganite series La1-xCaxMnO3 (x=0, 1/4, 1), Physical Review B, Vol:89, ISSN:2469-9950

Martinez-Casado R, Usvyat D, Mallia G, et al., 2014, Diffraction of helium on MgO(100) surface calculated from first-principles, Physical Chemistry Chemical Physics, Vol:16, ISSN:1463-9076, Pages:21106-21113

Martinez-Casado R, Usvyat D, Maschio L, et al., 2014, Approaching an exact treatment of electronic correlations at solid surfaces: The binding energy of the lowest bound state of helium adsorbed on MgO(100), Physical Review B, Vol:89, ISSN:2469-9950

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