E
Eduardo Fabiano
Researcher at Istituto Italiano di Tecnologia
Publications - 148
Citations - 4533
Eduardo Fabiano is an academic researcher from Istituto Italiano di Tecnologia. The author has contributed to research in topics: Density functional theory & Jellium. The author has an hindex of 36, co-authored 138 publications receiving 3987 citations. Previous affiliations of Eduardo Fabiano include Ruhr University Bochum & University of Salento.
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Implementation of surface hopping molecular dynamics using semiempirical methods
TL;DR: In this paper, a molecular dynamics driver and surface hopping algorithm for nonadiabatic dynamics has been implemented in a development version of the MNDO semiempirical electronic structure package.
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Photoinduced nonadiabatic dynamics of pyrimidine nucleobases: on-the-fly surface-hopping study with semiempirical methods.
TL;DR: The photoinduced relaxation dynamics of pyrimidine nucleobases (uracil, thymine, and cytosine) was studied using the surface-hopping approach at the semiempirical OM2/MRCI level of theory to describe the nonadiabatic dynamics after excitation into the optically active state.
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"Darker-than-black" PbS quantum dots: enhancing optical absorption of colloidal semiconductor nanocrystals via short conjugated ligands.
Carlo Giansante,Ivan Infante,Ivan Infante,Eduardo Fabiano,Roberto Grisorio,Gian Paolo Suranna,Giuseppe Gigli +6 more
TL;DR: Evidence that organic ligands and inorganic cores are inherently electronically coupled materials thus yielding peculiar chemical species (the colloidal QDs themselves), which display arising (opto)electronic properties that cannot be merely described as the sum of those of the ligand and core components is provided.
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Semiclassical neutral atom as a reference system in density functional theory.
TL;DR: This work uses the asymptotic expansions of the semiclassical neutral atom as a reference system in density functional theory to construct accurate generalized gradient approximations for the exchange-correlation and kinetic energies without any empiricism.
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Nonradiative deexcitation dynamics of 9H-adenine: An OM2 surface hopping study
Eduardo Fabiano,Walter Thiel +1 more
TL;DR: The nonradiative relaxation of 9H-adenine was studied at the semiempirical OM2/MR-CI level using the surface-hopping approach and showed that the deexcitation process is mainly governed by a two-step relaxation consisting of an ultrashort component and a longer component.