Domenica Raciti, Gaetano Calogero, Damiano Ricciarelli, Ruggero Anzalone, Giuseppe Morale, Domenico Murabito, Ioannis Deretzis, Giuseppe Fisicaro, Antonino La Magna

Multiscale atomistic modelling of CVD: From gas-phase reactions to lattice defects

Materials Science in Semiconductor Processing [Pergamon], Volume: 167 Pages: 107792

Damiano Ricciarelli, Ioannis Deretzis, Gaetano Calogero, Giuseppe Fisicaro, Enrico Martello, Antonino La Magna

Local Coordination Modulates the Reflectivity of Liquefied Si–Ge Alloys

The Journal of Physical Chemistry C [American Chemical Society],

Damiano Ricciarelli, Giovanni Mannino, Ioannis Deretzis, Gaetano Calogero, Giuseppe Fisicaro, Richard Daubriac, Fuccio Cristiano, Remi Demoulin, Paweł P Michałowski, Pablo Acosta-Alba, Jean-Michel Hartmann, Sébastien Kerdilès, Antonino La Magna

Impact of surface reflectivity on the ultra-fast laser melting of silicon-germanium alloys

Materials Science in Semiconductor Processing [Pergamon], Volume: 165 Pages: 107635

Gaetano Calogero, Domenica Raciti, Damiano Ricciarelli, Pablo Acosta-Alba, Fuccio Cristiano, Richard Daubriac, Remi Demoulin, Ioannis Deretzis, Giuseppe Fisicaro, Jean-Michel Hartmann, Sébastien Kerdilès, Antonino La Magna

Atomistic insights into ultrafast SiGe nanoprocessing

The Journal of Physical Chemistry C [American Chemical Society],

Gaetano Calogero, Ioannis Deretzis, Giuseppe Fisicaro, Manuel Kollmuß, Francesco La Via, Salvatore F Lombardo, Michael Schöler, Peter J Wellmann, Antonino La Magna

Multiscale Simulations for Defect-Controlled Processing of Group IV Materials

Crystals [Multidisciplinary Digital Publishing Institute], Volume: 12 Issue: 12 Pages: 1701

Giuseppe Lovarelli, Gaetano Calogero, Gianluca Fiori, Giuseppe Iannaccone

Multiscale Pseudoatomistic Quantum Transport Modeling for van der Waals Heterostructures

Physical Review Applied [American Physical Society], Volume: 18 Issue: 3 Pages: 034045

Isaac Alcón, Gaetano Calogero, Nick Papior, Aleandro Antidormi, Kenan Song, Aron W Cummings, Mads Brandbyge, Stephan Roche

Unveiling the Multiradical Character of the Biphenylene Network and Its Anisotropic Charge Transport

Journal of the American Chemical Society [American Chemical Society],

Gaetano Calogero, Domenica Raciti, Pablo Acosta-Alba, Fuccio Cristiano, Ioannis Deretzis, Giuseppe Fisicaro, Karim Huet, Sébastien Kerdilès, Alberto Sciuto, Antonino La Magna

Multiscale modeling of ultrafast melting phenomena

npj Computational Materials [Nature Publishing Group], Volume: 8 Issue: 1 Pages: 1-10

Isaac Alcón, Nick Papior, Gaetano Calogero, Francesc Viñes, Pablo Gamallo, Mads Brandbyge

Acetylene-Mediated Electron Transport in Nanostructured Graphene and Hexagonal Boron Nitride

The Journal of Physical Chemistry Letters [American Chemical Society], Volume: 12 Issue: 45 Pages: 11220-11227

Isaac Alcón Rovira, Nick Papior, Gaetano Calogero, Francesc Viñes Solana, Pablo Gamallo Belmonte, Mads Brandbyge

Acetylene-Mediated Electron Transport in Nanostructured Graphene and Hexagonal Boron Nitride

Journal of Physical Chemistry Letters, 2021, vol. 12, num. 45, p. 11220-11227 [American Chemical Society],

Isaac Alcón, Gaetano Calogero, Nick Papior, Mads Brandbyge

Electrochemical Control of Charge Current Flow in Nanoporous Graphene

Advanced Functional Materials [], Volume: 31 Issue: 40 Pages: 2104031

Gaetano Calogero, Damiano Marian, Enrique G Marin, Gianluca Fiori, Giuseppe Iannaccone

Physical insights on transistors based on lateral heterostructures of monolayer and multilayer PtSe2 via Ab initio modelling of interfaces

Scientific reports [Nature Publishing Group], Volume: 11 Issue: 1 Pages: 1-11

Leonardo Lucchesi, Gaetano Calogero, Gianluca Fiori, Giuseppe Iannaccone

Ballistic two-dimensional lateral heterojunction bipolar transistor

Physical Review Research [American Physical Society], Volume: 3 Issue: 2 Pages: 023158

Nick Papior, Gaetano Calogero, Susanne Leitherer, Mads Brandbyge

Removing all periodic boundary conditions: Efficient nonequilibrium Green's function calculations

Physical Review B [American Physical Society], Volume: 100 Issue: 19 Pages: 195417

Gaetano Calogero, Isaac Alcón, Nick Papior, Antti-Pekka Jauho, Mads Brandbyge

Quantum interference engineering of nanoporous graphene for carbon nanocircuitry

Journal of the American Chemical Society [American Chemical Society], Volume: 141 Issue: 33 Pages: 13081-13088

Gaetano Calogero, Nick Papior, Mohammad Koleini, Matthew Helmi Leth Larsen, Mads Brandbyge

Multi-scale approach to first-principles electron transport beyond 100 nm

Nanoscale [Royal Society of Chemistry], Volume: 11 Issue: 13 Pages: 6153-6164

Gaetano Calogero, Nick R Papior, Bernhard Kretz, Aran Garcia-Lekue, Thomas Frederiksen, Mads Brandbyge

Electron transport in nanoporous graphene: Probing the Talbot effect

Nano letters [American Chemical Society], Volume: 19 Issue: 1 Pages: 576-581

Gaetano Calogero, Nick R Papior, Bernhard Kretz, Aran Garcia-Lekue, Thomas Frederiksen, Mads Brandbyge

Full-scale Simulation of Electron Transport in Nanoporous Graphene: Probing the Talbot Effect

arXiv preprint arXiv:1811.07576 [],

Gaetano Calogero, Nick R Papior, Peter Bøggild, Mads Brandbyge

Large-scale tight-binding simulations of quantum transport in ballistic graphene

Journal of Physics: Condensed Matter [IOP Publishing], Volume: 30 Issue: 36 Pages: 364001

José M Caridad, Gaetano Calogero, Paolo Pedrinazzi, Jaime E Santos, Anthony Impellizzeri, Tue Gunst, Timothy J Booth, Roman Sordan, Peter Bøggild, Mads Brandbyge

A graphene-edge ferroelectric molecular switch

Nano letters [American Chemical Society], Volume: 18 Issue: 8 Pages: 4675-4683

Nick R Papior, Gaetano Calogero, Mads Brandbyge

Simple and efficient LCAO basis sets for the diffuse states in carbon nanostructures

Journal of Physics: Condensed Matter [IOP Publishing], Volume: 30 Issue: 25 Pages: 25LT01

Peter Bøggild, José M Caridad, Christoph Stampfer, Gaetano Calogero, Nick Rübner Papior, Mads Brandbyge

A two-dimensional Dirac fermion microscope

Nature communications [Nature Publishing Group], Volume: 8 Issue: 1 Pages: 1-12

Nadine J van der Heijden, Daniël Smith, Gaetano Calogero, Rik S Koster, Daniel Vanmaekelbergh, Marijn A van Huis, Ingmar Swart

Recognizing nitrogen dopant atoms in graphene using atomic force microscopy

Physical Review B [American Physical Society], Volume: 93 Issue: 24 Pages: 245430

I Deretzis, G Calogero, GGN Angilella, A La Magna

Role of basis sets on the unfolding of supercell band structures: From tight-binding to density functional theory

EPL (Europhysics Letters) [IOP Publishing], Volume: 107 Issue: 2 Pages: 27006