Giuseppe Mallia

Implementation of the finite field perturbation method in the CRYSTAL program for calculating the dielectric constant of periodic systems

Clovis Darrigan, Michel Rérat, Giuseppe Mallia et al. · Journal of Computational Chemistry · 2003 · 55 citations

Numerical Analysis, Engineering, Crystal Program +17

An efficient method for computing the binding energy of an adsorbed molecule within a periodic approach. The application to vinyl fluoride at rutile TiO2(1 1 0) surface

Jessica Scaranto, Giuseppe Mallia, N. M. Harrison · Computational Materials Science · 2011 · 50 citations

Materials Science, Engineering, Surface Chemistry +11

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Giuseppe Mallia, R. Orlando, C. Roetti et al. · Physical review. B, Condensed matter · 2001 · 49 citations

Crystal Structure, Engineering, Magnetic Resonance +26

<i>Ab initio</i>complex band structure of conjugated polymers: Effects of hydrid density functional theory and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi mathvariant="italic">GW</mml:mi></mml:mrow></mml:math>schemes

Andrea Ferretti, Giuseppe Mallia, Layla Martin‐Samos et al. · Physical Review B · 2012 · 40 citations · Full text

Engineering, Computational Chemistry, Chemistry +22

Unravelling Some of the Structure–Property Relationships in Graphene Oxide at Low Degree of Oxidation

Filippo Savazzi, Francesca Risplendi, Giuseppe Mallia et al. · The Journal of Physical Chemistry Letters · 2018 · 40 citations

Nanosheet, Engineering, Chemical Modification +19