IRIS
ALFE', Dario
 Distribuzione geografica
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Continente #
NA - Nord America 3.678
AS - Asia 1.188
EU - Europa 671
OC - Oceania 5
SA - Sud America 4
AF - Africa 3
Continente sconosciuto - Info sul continente non disponibili 1
Totale 5.550
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Nazione #
US - Stati Uniti d'America 3.606
SG - Singapore 509
CN - Cina 430
IT - Italia 332
HK - Hong Kong 206
FI - Finlandia 107
CA - Canada 66
GB - Regno Unito 57
NL - Olanda 57
RU - Federazione Russa 40
DE - Germania 36
PK - Pakistan 31
IE - Irlanda 7
BG - Bulgaria 6
IN - India 5
MX - Messico 5
UA - Ucraina 5
AU - Australia 4
FR - Francia 4
BE - Belgio 3
CH - Svizzera 3
SE - Svezia 3
AR - Argentina 2
AT - Austria 2
BR - Brasile 2
CI - Costa d'Avorio 2
JP - Giappone 2
MY - Malesia 2
NO - Norvegia 2
DK - Danimarca 1
ES - Italia 1
EU - Europa 1
GH - Ghana 1
HN - Honduras 1
HR - Croazia 1
KR - Corea 1
LT - Lituania 1
NP - Nepal 1
NZ - Nuova Zelanda 1
PT - Portogallo 1
RO - Romania 1
SK - Slovacchia (Repubblica Slovacca) 1
VN - Vietnam 1
Totale 5.550
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Città #
Chandler 1.023
Santa Clara 413
Singapore 394
Lawrence 212
Hong Kong 205
Boston 186
Nanjing 179
Des Moines 152
Millbury 152
Helsinki 100
Naples 85
Ashburn 78
Ottawa 65
Amsterdam 57
Hebei 52
Wilmington 51
Jiaxing 42
Nanchang 39
Seattle 37
Shenyang 36
Grugliasco 32
Lahore 29
Changsha 26
Napoli 25
Rome 19
Tianjin 18
Falkenstein 13
Fairfield 12
Chippenham 11
Falls Church 10
Moscow 10
Springfield 9
Aprilia 7
Bari 7
Beijing 7
Frankfurt am Main 7
Lappeenranta 7
London 7
Manchester 7
Norwalk 7
Cagliari 6
Sofia 6
Vajont 6
Houston 5
Prineville 5
Salerno 5
Trieste 5
Washington 5
Woodbridge 5
Bitonto 4
Council Bluffs 4
Hangzhou 4
Padova 4
Bologna 3
Bristol 3
Cambridge 3
Canary Wharf 3
Dearborn 3
Delabole 3
Dublin 3
Fort Worth 3
Gustavo Adolfo Madero 3
Islington 3
Kronberg 3
Los Angeles 3
Ningbo 3
Pune 3
Redwood City 3
Thiene 3
Zanica 3
Zurich 3
Bengaluru 2
Brussels 2
Edinburgh 2
Flensburg 2
Fremont 2
Gragnano 2
Guangzhou 2
Jacksonville 2
Kuala Lumpur 2
La Plata 2
Marigliano 2
Messina 2
Milan 2
Montesilvano Marina 2
Munich 2
New Orleans 2
Oslo 2
Portici 2
Rio Rancho 2
San Sperate 2
São Paulo 2
Udine 2
Vienna 2
York 2
Ann Arbor 1
Avellino 1
Bloomsbury 1
Camden 1
Choloma 1
Totale 3.999
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Nome #
Structural relaxation and low-energy properties of twisted bilayer graphene 70
Crucial role of atomic corrugation on the flat bands and energy gaps of twisted bilayer graphene at the magic angle θ∼1.08∘ 61
First principles study of two rhodium surfaces upon carbon-monoxide and oxygen adsorption 53
1ST EXPERIMENTAL TESTS AT THE NEW SYNCHROTRON-RADIATION FACILITY ELETTRA IN TRIESTE 51
Fast and accurate quantum Monte Carlo for molecular crystals 50
Boosting the accuracy and speed of quantum Monte Carlo: Size consistency and time step 48
A comparison between quantum chemistry and quantum Monte Carlo techniques for the adsorption of water on the (001) LiH surface 43
On core convection and the geodynamo: Effects of high electrical and thermal conductivity 41
Ab initio molecular dynamic simulation on the elasticity of Mg3Al2Si3O12 pyrope 41
Hydrogen dissociation on Mg(0001) studied via quantum Monte Carlo calculations 40
Perspective: How good is DFT for water? 40
Physisorption of Water on Graphene: Subchemical Accuracy from Many-Body Electronic Structure Methods 40
An ab initio study of the relative stabilities and equations of state of Fe(3)S polymorphs 40
Composition and temperature of the Earth's core constrained by combining ab initio calculations and seismic data 40
Interfacial two-dimensional oxide enhances photocatalytic activity of graphene/titania via electronic structure modification 40
Elasticity of CaSiO(3) perovskite at high pressure and high temperature 39
A new belt-type apparatus for neutron-based rheological measurements at gigapascal pressures 39
Ab initio calculations of the thermodynamics and phase diagram of zirconium 39
Development of a machine learning potential for graphene 38
Unravelling the roles of surface chemical composition and geometry for the graphene-metal interaction through C1s core-level spectroscopy 38
Hard Numbers for Large Molecules: Toward Exact Energetics for Supramolecular Systems 38
Ab initio lattice dynamics calculations on the combined effect of temperature and silicon on the stability of different iron phases in the Earth's inner core 38
Ab initio calculation of lattice dynamics and thermodynamic properties of beryllium 38
Assessing the accuracy of quantum Monte Carlo and density functional theory for energetics of small water clusters 38
Ab initio molecular dynamics study of elasticity of akimotoite MgSiO3 at mantle conditions 37
Ideal solution theory 37
Spin-flop ordering from frustrated ferro- and antiferromagnetic interactions: A combined theoretical and experimental study of a Mn/Fe(100) monolayer 37
Thermodynamics of hexagonal-close-packed iron under Earth's core conditions 36
On the accuracy of van der Waals inclusive density-functional theory exchange-correlation functionals for ice at ambient and high pressures 36
Ab initio molecular dynamics, a simple algorithm for charge extrapolation 36
Dehydrogenation of pure and Ti-doped Na3AlH6 surfaces from first principles calculations 36
Water on BN doped benzene: A hard test for exchange-correlation functionals and the impact of exact exchange on weak binding 36
Ab initio free energy calculations on the polymorphs of iron at core conditions 36
Ab initio melting curve of molybdenum by the phase coexistence method 36
Properties and evolution of the Earth's core and geodynamo 35
Efficient localized basis set for quantum Monte Carlo calculations on condensed matter 35
Thermal Expansion of Supported and Freestanding Graphene: Lattice Constant versus Interatomic Distance 35
The ab initio simulation of the Earth's core 35
Ab initio chemical potentials of solid and liquid solutions and the chemistry of the Earth's core 35
Thermodynamic stability of Fe/O solid solution at inner-core conditions 35
First-principles simulations of direct coexistence of solid and liquid aluminum 35
Nanoscale π-π Stacked molecules are bound by collective charge fluctuations 34
Elasticity of Mg2SiO4 ringwoodite at mantle conditions 34
Diamond and beta-tin structures of Si studied with quantum Monte Carlo calculations 34
Oxygen in the Earth's core: a first-principles study 34
Epitaxy of nanocrystalline Silicon Carbide on Si(111) at Room Temperature 34
Ab initio study of the phase separation of argon in molten iron at high pressures 34
Equation of state of hexagonal closed packed iron under Earth's core conditions from quantum Monte Carlo calculations 34
Pressure-induced amorphization of CuFeS2 studied by Fe-57 nuclear resonant inelastic scattering 34
Properties of the water to boron nitride interaction: From zero to two dimensions with benchmark accuracy 33
Ab initio statistical mechanics of surface adsorption and desorption. II. Nuclear quantum effects 33
The melting curve of iron at the pressures of the Earth's core from ab initio calculations 33
The water-benzene interaction: Insight from electronic structure theories 33
Ab initio calculations on the free energy and high P-T elasticity of face-centred-cubic iron 33
Extension of molecular electronic structure methods to the solid state: computation of the cohesive energy of lithium hydride 33
Phonon density of states of iron up to 153 gigapascals 33
Electronic correlations and transport in iron at Earth’s core conditions 33
Performance of van der Waals Corrected Functionals for Guest Adsorption in the M2(dobdc) Metal-Organic Frameworks 32
Energy benchmarks for methane-water systems from quantum Monte Carlo and second-order Møller-Plesset calculations 32
Non-adiabatic ab initio molecular dynamics of supersonic beam epitaxy of silicon carbide at room temperature 32
Gross thermodynamics of two-component core convection 32
Ab initio statistical mechanics of surface adsorption and desorption. I. H(2)O on MgO (001) at low coverage 32
The reconstruction of Rh(001) upon oxygen adsorption 32
Interaction between water and carbon nanostructures: How good are current density functional approximations? 32
Unusual reversibility in molecular break-up of PAHs: The case of pentacene dehydrogenation on Ir(111) 32
DMC-ICE13: ambient and high pressure polymorphs of ice from Diffusion Monte Carlo and Density Functional Theory 31
Structural, vibrational and thermodynamic properties of Mg2SiO4 and MgSiO3 minerals from first-principles simulations 31
Thermal and electrical conductivity of solid iron and iron-silicon mixtures at Earth's core conditions 31
Ab initio melting curve of copper by the phase coexistence approach 31
Temperature and composition of the Earth's core 31
Assessment of density functional theory for iron(II) molecules across the spin-crossover transition 31
Melting curve of MgO from first-principles simulations 31
Hydrogen dissociation and diffusion on Ni- and Ti-doped Mg(0001) surfaces 31
Molecular dynamics study of the point defects in bcc uranium 31
Evidence for stable square ice from quantum Monte Carlo 30
Toward accurate adsorption energetics on clay surfaces 30
Partitioning of Oxygen Between Ferropericlase and Earth's Liquid Core 30
Structure of magnesium selenate enneahydrate, MgSeO4·9H2O, from 5 to 250K using neutron time-of-flight Laue diffraction 30
Theory & Practice - The Ab Initio Treatment of High Pressure & Temperature Mineral Properties & Behaviour 30
HREEL spectra of various oxygen structures on Rh(110) 30
Structural properties and enthalpy of formation of magnesium hydride from quantum Monte Carlo calculations 30
Structure and elasticity of hydrous ringwoodite: A first principle investigation 30
Melting curve of materials: theory versus experiments 30
Ab initio melting curve of the fcc phase of aluminum 30
Ab initio thermodynamics and phase diagram of solid magnesium: A comparison of the LDA and GGA 30
Adsorption of a water molecule on the MgO(100) surface as described by cluster and slab models 30
Complementary approaches to the ab initio calculation of melting properties 30
Analyzing the errors of DFT approximations for compressed water systems 30
Molecular Lifting, Twisting, and Curling during Metal-Assisted Polycyclic Hydrocarbon Dehydrogenation 29
Phonon spectroscopy of oriented hcp iron 29
Calculation of properties of crystalline lithium hydride using correlated wave function theory 29
Ab initio molecular dynamics simulations for thermal equation of state of B2-type NaCl 29
Transport properties for liquid silicon-oxygen-iron mixtures at Earth's core conditions 29
Melting of Iron under Earth's Core Conditions from Diffusion Monte Carlo Free Energy Calculations 29
Comparison of polynomial approximations to speed up planewave-based quantum Monte Carlo calculations 28
First-Principles Simulations of Lithium Melting: Stability of the bcc Phase Close to Melting 28
Absolute rate of thermal desorption from first-principles simulation 28
Adsorption and diffusion of water on graphene from first principles 28
Quantum Monte Carlo calculations of the structural properties and the B1-B2 phase transition of MgO 28
Communication: Energy benchmarking with quantum Monte Carlo for water nano-droplets and bulk liquid water 28
Totale 3.484
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Categoria #
all - tutte 25.220
article - articoli 0
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 0
Totale 25.220
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/202085 0 0 0 0 0 0 5 0 1 8 50 21
2020/2021173 7 1 10 1 7 47 4 44 20 2 30 0
2021/2022839 8 0 21 14 12 30 13 41 21 5 7 667
2022/20231.865 284 176 27 339 183 252 4 150 302 59 76 13
2023/2024745 44 186 106 23 19 55 11 29 6 3 206 57
2024/20251.422 291 148 81 9 119 479 295 0 0 0 0 0
Totale 5.854