UMARI, PAOLO
 Distribuzione geografica
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Continente #
NA - Nord America 3.980
EU - Europa 532
AS - Asia 235
Continente sconosciuto - Info sul continente non disponibili 4
SA - Sud America 3
AF - Africa 1
OC - Oceania 1
Totale 4.756
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Nazione #
US - Stati Uniti d'America 3.979
CN - Cina 99
FI - Finlandia 92
UA - Ucraina 88
DE - Germania 85
IT - Italia 84
SG - Singapore 80
SE - Svezia 66
FR - Francia 39
VN - Vietnam 37
GB - Regno Unito 35
CH - Svizzera 18
IE - Irlanda 11
RU - Federazione Russa 6
JP - Giappone 5
NL - Olanda 5
EU - Europa 4
IN - India 4
TH - Thailandia 3
AR - Argentina 2
GR - Grecia 2
KR - Corea 2
SA - Arabia Saudita 2
TW - Taiwan 2
BR - Brasile 1
CA - Canada 1
ET - Etiopia 1
IR - Iran 1
NZ - Nuova Zelanda 1
PT - Portogallo 1
Totale 4.756
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Città #
Woodbridge 637
Fairfield 597
Houston 420
Jacksonville 347
Ann Arbor 257
Ashburn 248
Cambridge 227
Seattle 212
Chandler 191
Wilmington 181
Princeton 128
San Diego 63
Singapore 51
Beijing 39
Helsinki 36
Dong Ket 34
Medford 32
Boardman 31
Des Moines 25
Padova 24
Los Angeles 16
Nanjing 16
Tappahannock 10
Dublin 9
Norwalk 8
Milan 7
Santa Clara 7
Strengelbach 7
Roxbury 6
Hebei 5
Kilburn 5
Ogden 5
Shenyang 5
Lappeenranta 4
London 4
Nanchang 4
Orange 4
Walnut 4
Zhengzhou 4
Zurich 4
Changsha 3
Goro 3
Guangzhou 3
Lausanne 3
Negrar 3
Rome 3
Trento 3
Trieste 3
Aci Catena 2
Albignasego 2
Amsterdam 2
Bengaluru 2
Bologna 2
Buenos Aires 2
Florence 2
Hangzhou 2
Kakegawa 2
Khon Kaen 2
New York 2
Ningbo 2
Palo Alto 2
Pisa 2
Riyadh 2
Rockville 2
Torino 2
Aachen 1
Alghero 1
Ardabil 1
Auburn Hills 1
Baotou 1
Bonaduz 1
Borås 1
Campinas 1
Chicago 1
Chioggia 1
Chiswick 1
Clifton 1
Council Bluffs 1
Darmstadt 1
Fort Worth 1
Frankfurt am Main 1
Fuzhou 1
Genoa 1
Groningen 1
Guagnano 1
Görlitz 1
Haikou 1
Hamburg 1
Hefei 1
Hounslow 1
Indiana 1
Islington 1
Izhevsk 1
Jiaxing 1
Kharkiv 1
Lanzhou 1
Leawood 1
Legnaro 1
Lisbon 1
Moscow 1
Totale 4.007
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Nome #
Microscopic theory and quantum simulation of atomic heat transport 138
Accelerating GW calculations with optimal polarizability basis 126
Optimal representation of the polarization propagator for large-scale GW calculations 113
Electronic and optical properties of mixed Sn-Pb organohalide perovskites: A first principles investigation 109
First-principles analysis of the Raman spectrum of vitreous silica: comparison with the vibrational density of states 108
Car-Parrinello Molecular Dynamics in a Finite Homogeneous Electric Field 108
Valence electronic properties of porphyrin derivatives 108
Vibrational spectra of vitreous germania from first-principles 105
Infrared and Raman spectra of disordered materials from first-principles 104
Photoelectron properties of DNA and RNA bases from many-body perturbation theory 104
Hyper-Raman spectrum of vitreous silica from first-principles 103
Medium-range structural properties of vitreous germania obtained through first-principles analysis of vibrational spectra 103
Importance of semicore states in GW calculations for simulating accurately the photoemission spectra of metal phthalocyanine molecules 101
Concentration of small ring structures in vitreous silica from a first-principles analysis of the Raman spectrum 99
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials 97
Harnessing molecular excited states with Lanczos chains 94
SIMPLE code: Optical properties with optimal basis functions 91
Modeling of the Raman spectrum of vitreous silica: concentration of small ring structures 88
Approximate treatment of semicore states in GW calculations with application to Au clusters 86
Energy-level alignment in organic dye-sensitized TiO2 from GW calculations 86
Gauge Invariance of Thermal Transport Coefficients 85
Medium-range structure of vitreous SiO2 obtained through first-principles investigation of vibrational spectra 84
Bonding at the organic/metal interface: Adenine to Cu(110) 83
Valence electronic structure of the indene molecule: Experiment vs. GW calculations 83
GW quasiparticle spectra from occupied states only 81
Solid state effects on the electronic structure of H2OEP 78
Communication: Electronic band gaps of semiconducting zig-zag carbon nanotubes from many-body perturbation theory calculations 77
Dielectric discontinuity at interfaces in the atomic scale limit: permittivity of ultrathin oxide films on silicon 77
Method for the fast evaluation of Fock exchange for nonlocalized wave functions 74
Detailed analysis of plastic shear in the Raman spectra of SiO2 glass 74
Large-scale GW -BSE calculations with N3 scaling: Excitonic effects in dye-sensitized solar cells 73
Finite electric fields in density functional calculations with periodic boundary conditions 72
Dielectric response of periodic systems from quantum Monte Carlo 71
Raman Scattering intensities in alpha-quartz: A first-principles investigation 71
Alignment of energy levels in dye/semiconductor interfaces by GW calculations: Effects due to coadsorption of solvent molecules 71
Polarizability and dielectric constant in density-functional supercell calculations with discrete k-point sampling 70
Dielectric susceptibilities of dipolar liquids by ab initio molecular dynamics: application to liquid HCl 70
Are carbon nanotubes still a viable option for ITRS 2024?2013 IEEE International Electron Devices Meeting 70
Electronic and optical properties of MAPbX3perovskites (X = I, Br, Cl): a unified DFT and GW theoretical analysis 70
Density Functional Theory with Finite Electric Fields 69
Fraction of broxol rings in vitreous boron oxide from a first-principles analysis of Raman and NMR spectra 69
Dielectric effect of a this SiO_2 interlayer at the interface between silicon and hig-k oxide 67
Inside dielctrics: microscopic and macroscopic polarization 66
First-principles investigation of electronic, structural, and vibrational properties of a-Si3N4 66
Linear and nonlinear susceptibilities from diffusion quantum Monte Carlo: Application to periodic hydrogen chains 66
Relativistic GW calculations on CH3 NH3 PbI 3 and CH3 NH3 SnI3 Perovskites for Solar Cell Applications 65
Cation-Induced Band-Gap Tuning in Organohalide Perovskites: Interplay of Spin–Orbit Coupling and Octahedra Tilting 61
Ab initio molecular dynamics ia a finite homogeneous electric field 61
Electronic properties of extended graphene nanomaterials from GW calculations 60
Density functional perturbation theory for dielectric tensors in the ultrasoft pseudopotential scheme 57
Comment on "fraction of boroxol rings in vitreous boron oxide from a first-principles analysis of Raman and NMR spectra" Umari and Pasquarello reply 49
Infrared Dielectric Screening Determines the Low Exciton Binding Energy of Metal-Halide Perovskites 49
Chlorine Incorporation in the CH3NH3PbI3 Perovskite: Small Concentration, Big Effect 47
Artificial photosynthesis: photoanodes based on polyquinoid dyes onto mesoporous tin oxide surface 43
Optical detection of the susceptibility tensor in two-dimensional crystals 42
Transition Dipole Moments of n = 1, 2, and 3 Perovskite Quantum Wells from the Optical Stark Effect and Many-Body Perturbation Theory 41
Surface susceptibility and conductivity of MoS2 and WSe2 monolayers: A first-principles and ellipsometry characterization 38
Advanced capabilities for materials modelling with Quantum ESPRESSO 37
Electronic structure of MAPbI3 and MAPbCl3: importance of band alignment 34
Koopmans Meets Bethe-Salpeter: Excitonic Optical Spectra without GW 31
Photoelectrochemical C−H Activation Through a Quinacridone Dye Enabling Proton-Coupled Electron Transfer 30
First-principles investigation of organic photovoltaic materials C60, C70, [C60]PCBM, and bis- [C60]PCBM using a many-body G0W0 -Lanczos approach FIRST-PRINCIPLES INVESTIGATION of ORGANIC ... XIAOFENG QIAN, PAOLO UMARI, and NICOLA MARZARI 28
Real space-real time evolution of excitonic states based on the bethe-salpeter equation method 21
Bethe-Salpeter equation approach with electron-phonon coupling for exciton binding energies 20
The GW Method for Excited States Calculations 19
Trifurcated Splitting of Water Droplets on Engineered Lithium Niobate Surfaces 12
A Fully Linear Response G0W0Method That Scales Linearly up to Tens of Thousands of Cores 12
Optical van-der-Waals forces in molecules: from electronic Bethe-Salpeter calculations to the many-body dispersion model 12
Diruthenium Paddlewheel Complexes Attacking Proteins: Axial Versus Equatorial Coordination 11
Mechanism of Action of Antitumor Au(I) N-Heterocyclic Carbene Complexes: A Computational Insight on the Targeting of TrxR Selenocysteine 7
The binding of auranofin at DNA/RNA nucleobases: A DFT assessment 7
The binding of diruthenium (II,III) and dirhodium (II,II) paddlewheel complexes at DNA/RNA nucleobases: Computational evidences of an appreciable selectivity toward the AU base pairs 6
Inclusion of infrared dielectric screening in the GW method from polaron energies to charge mobilities 5
Dimolybdenum (II,II) paddlewheel complexes bearing non-steroidal anti-inflammatory drug ligands: Insights into the chemico-physical profile and first biological assessment 3
Totale 4.816
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Categoria #
all - tutte 16.485
article - articoli 16.089
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 177
Totale 32.751
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/2020746 0 0 13 96 90 86 78 123 83 90 39 48
2020/2021801 28 50 7 65 39 111 37 61 178 26 124 75
2021/2022786 17 68 127 75 42 29 25 115 43 10 89 146
2022/2023542 155 1 1 48 116 64 3 39 71 8 24 12
2023/2024272 17 40 37 19 9 17 14 7 7 22 32 51
2024/2025100 10 46 44 0 0 0 0 0 0 0 0 0
Totale 4.816