Simone Taioli

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Stefano SimonucciResearcher - Physics Division - University of CamerinoVerified email at unicam.it
Nicola M. PugnoFull Professor of Solid and Structural MechanicsVerified email at unitn.it
Giovanni GarberoglioECT*, Fondazione Bruno Kessler, Trento (Italy)Verified email at ectstar.eu
Maurizio DaporHead of the Interdisciplinary Laboratory for Computational ScienceVerified email at fbk.eu
Dario AlfeProfessor of Physics at University College London and Universita' di Napoli Federico IIVerified email at ucl.ac.uk
Claudio CazorlaDepartment of Physics, Universitat Politècnica de Catalunya (Spain)Verified email at upc.edu
roberto verucchiIMEM-CNR, sede di TrentoVerified email at cnr.it
tommaso morresipostdoc researcher, Sorbonne UniversitéVerified email at upmc.fr
Maurizio M. BussoProfessor of Astrophysics, University of Perugia & Director, INFN Section of PerugiaVerified email at pg.infn.it
Balázs DóraBudapest University of Technology and EconomicsVerified email at eik.bme.hu
Danny Haberer-GehrmannUC BerkeleyVerified email at berkeley.edu
Alexander GrüneisProfessor of Experimental Condensed Matter Physics, University of Cologne, GermanyVerified email at ph2.uni-koeln.de
Thomas PichlerProfessor, University of Vienna, Faculty of Physics, Electronic Properties of MaterialsVerified email at univie.ac.at
Martin KnupferIFW DresdenVerified email at ifw-dresden.de
Mildred S. DresselhausLate Professor, MITVerified email at mgm.mit.edu
Denis VyalikhDIPC, 20018 Donostia/San Sebastián, Basque Country, SpainVerified email at dipc.org
Marco GaravelliDipartimento di Chimica Industriale "T. Montanari", BolognaVerified email at unibo.it
Lucrezia AversaRicercatore CNRVerified email at cnr.it
Francesco BonaccorsoBeDimensional S.p.A., Istituto Italiano di TecnologiaVerified email at iit.it
Andrea C. FerrariProfessor of Nanotechnology, University of Cambridge, UKVerified email at eng.cam.ac.uk

Simone Taioli

ECT*, FBK

Verified email at ectstar.eu - Homepage

Many-body methods in physics Condensed matter physics Computational materials science Chemical physics Nuclear astrophysics


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Tunable band gap in hydrogenated quasi-free-standing graphene D Haberer, DV Vyalikh, S Taioli, B Dora, M Farjam, J Fink, D Marchenko, ... Nano letters 10 (9), 3360-3366, 2010	373	2010
Production and processing of graphene and related materials C Backes, AM Abdelkader, C Alonso, A Andrieux-Ledier, R Arenal, ... 2D Materials 7 (2), 022001, 2020	230	2020
Zeolitic imidazolate frameworks for separation of binary mixtures of CO2, CH4, N2 and H2: A computer simulation investigation A Battisti, S Taioli, G Garberoglio Microporous and Mesoporous Materials 143 (1), 46-53, 2011	160	2011
Melting curve of tantalum from first principles S Taioli, C Cazorla, MJ Gillan, D Alfè Physical Review B 75 (21), 214103, 2007	115	2007
Ab initio melting curve of molybdenum by the phase coexistence method C Cazorla, MJ Gillan, S Taioli, D Alfè The Journal of chemical physics 126 (19), 194502, 2007	104	2007
UV-light induced vibrational coherences, the key to understand Kasha rule violation in trans-azobenzene A Nenov, R Borrego-Varillas, A Oriana, L Ganzer, F Segatta, I Conti, ... The journal of physical chemistry letters 9, 1534-1541, 2018	83	2018
Direct observation of a dispersionless impurity band in hydrogenated graphene D Haberer, L Petaccia, M Farjam, S Taioli, SA Jafari, A Nefedov, W Zhang, ... Physical Review B 83 (16), 165433, 2011	73	2011
A quantum chemical interpretation of two-dimensional electronic spectroscopy of Light-Harvesting complexes F Segatta, L Cupellini, S Jurinovich, S Mukamel, M Dapor, S Taioli, ... Journal of the American Chemical Society 139 (22), 7558, 2017	63	2017
Electron spectroscopies and inelastic processes in nanoclusters and solids: Theory and experiment S Taioli, S Simonucci, L Calliari, M Dapor Physics reports 493 (5), 237-319, 2010	59	2010
Spider silk reinforced by graphene or carbon nanotubes E Lepore, F Bosia, F Bonaccorso, M Bruna, S Taioli, G Garberoglio, ... 2D Materials 4 (3), 031013, 2017	49	2017
Infrared spectroscopy of copper-resveratrol complexes: A joint experimental and theoretical study B Chiavarino, ME Crestoni, S Fornarini, S Taioli, I Mancini, P Tosi The Journal of Chemical Physics 137 (2), 024307, 2012	44	2012
Communication: electronic band gaps of semiconducting zig-zag carbon nanotubes from many-body perturbation theory calculations P Umari, O Petrenko, S Taioli, MM De Souza The Journal of chemical physics 136 (18), 181101, 2012	44	2012
Designing graphene based nanofoams with nonlinear auxetic and anisotropic mechanical properties under tension or compression A Pedrielli, S Taioli, G Garberoglio, NM Pugno Carbon 111, 796-806, 2017	40	2017
Computational study of graphene growth on copper by first-principles and kinetic Monte Carlo calculations S Taioli Journal of molecular modeling 20 (7), 1-13, 2014	38	2014
Modeling flexibility in metal–organic frameworks: comparison between density-functional tight-binding and universal force field approaches for bonded interactions G Garberoglio, S Taioli Microporous and mesoporous materials 163, 215-220, 2012	38	2012
Epitaxy of nanocrystalline silicon carbide on Si (111) at room temperature R Verucchi, L Aversa, MV Nardi, S Taioli, S a Beccara, D Alfè, L Nasi, ... Journal of the American Chemical Society 134 (42), 17400-17403, 2012	37	2012
On the angular dependence of L x-ray production cross sections following photoionization at an energy of 59.54 keV A Tartari, C Baraldi, E Casnati, A Da Re, JE Fernandez, S Taioli Journal of Physics B: Atomic, Molecular and Optical Physics 36 (5), 843, 2003	37	2003
Mixed ab initio quantum mechanical and Monte Carlo calculations of secondary emission from SiO 2 nanoclusters S Taioli, S Simonucci, L Calliari, M Filippi, M Dapor Physical Review B 79 (8), 085432, 2009	35	2009
Gas adsorption and dynamics in pillared graphene frameworks A Pedrielli, S Taioli, G Garberoglio, NM Pugno Microporous and Mesoporous Materials 257, 222-231, 2018	34	2018
SURPRISES: when ab initio meets statistics in extended systems S Taioli, S Simonucci, M Dapor Computational Science & Discovery 2 (1), 015002, 2009	34	2009

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