IRIS
COCOCCIONI, MATTEO
 Distribuzione geografica
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Continente #
NA - Nord America 817
AS - Asia 394
EU - Europa 360
AF - Africa 3
Totale 1.574
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Nazione #
US - Stati Uniti d'America 816
CN - Cina 350
IE - Irlanda 296
SG - Singapore 25
FI - Finlandia 15
DE - Germania 11
IT - Italia 9
CH - Svizzera 7
TW - Taiwan 6
KR - Corea 5
SE - Svezia 5
GB - Regno Unito 4
GR - Grecia 3
RU - Federazione Russa 3
AE - Emirati Arabi Uniti 2
ET - Etiopia 2
HK - Hong Kong 2
JP - Giappone 2
AT - Austria 1
DK - Danimarca 1
ES - Italia 1
FR - Francia 1
IR - Iran 1
MU - Mauritius 1
MX - Messico 1
NL - Olanda 1
PH - Filippine 1
RO - Romania 1
UA - Ucraina 1
Totale 1.574
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Città #
Dublin 296
Chandler 213
Nanjing 109
Boardman 61
Princeton 61
Lawrence 59
Ashburn 55
Shenyang 38
Medford 37
Nanchang 37
Changsha 35
Hebei 35
Wilmington 34
Jiaxing 32
Dearborn 27
Hangzhou 18
Helsinki 15
Norwalk 14
Tianjin 14
Singapore 13
Ann Arbor 12
New York 8
Redwood City 6
Chicago 5
Fairfield 5
Daejeon 4
Dallas 4
Geneva 4
Pavia 4
Southwark 4
Woodbridge 4
Daan 3
Hsinchu 3
Ningbo 3
Taizhou 3
Zhengzhou 3
Beryozovsky 2
Chiba 2
Columbia 2
Dubai 2
Frankfurt am Main 2
Hefei 2
Houston 2
Jinan 2
Los Angeles 2
Phoenix 2
Seattle 2
Shanghai 2
Wuhan 2
Ardabil 1
Atlanta 1
Beijing 1
Carate Brianza 1
Des Moines 1
Exeter 1
Geislingen an der Steige 1
Groningen 1
Kastrup 1
Orange 1
Preverenges 1
Rockville 1
Salzburg 1
San Jose 1
Santa Clara 1
Stanton 1
Suwon 1
Washington 1
Wenzhou 1
Würenlingen 1
Xuzhou 1
Yau Tong 1
Zaragoza 1
Totale 1.327
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Nome #
DFT calculation and experimental investigation of Mn doping effect in Fe16N2 45
Advanced capabilities for materials modelling with Quantum ESPRESSO 44
Self-consistent study of oxygen vacancies in 43
Hubbard parameters from density-functional perturbation theory 42
Self-consistent site-dependent DFT+ U study of stoichiometric and defective SrMnO3 41
Extended DFT + U + V method with on-site and inter-site electronic interactions 40
H2S adsorption by Ag and Cu ion exchanged faujasites 40
Atomic bonding effects in annular dark field scanning transmission electron microscopy. I. Computational predictions 39
Density functional theory in transition-metal chemistry: A self-consistent hubbard U approach 39
Energetics and cathode voltages of LiMPO4 olivines ( M=Fe , Mn) from extended Hubbard functionals 38
Accurate and Efficient Calculations on Strongly Correlated Minerals with the LDA+U Method: Review and Perspectives 38
QUANTUM ESPRESSO: A modular and open-source software project for quantum simulations of materials 37
Calculation of the lattice dynamics and Raman spectra of copper zinc tin chalcogenides and comparison to experiments 37
Koopmans' condition for density-functional theory 37
Donor and acceptor levels of organic photovoltaic compounds from first principles 36
Alkane metathesis by tantalum metal hydride on ferrierite: A computational study 35
Searching for high magnetization density in bulk Fe: The new metastable Fe6 phase 34
Bridging density-functional and many-body perturbation theory: Orbital-density dependence in electronic-structure functionals 34
β-scission of olefins on acidic zeolites: A periodic PBE-D study in H-ZSM-5 34
Electronic structure of pristine and Ni-substituted from near edge x-ray absorption fine structure experiments and first-principles simulations 34
A DFT study on multivalent cation-exchanged y zeolites as potential selective adsorbent for H2S 32
Car-Parrinello molecular dynamics in the DFT + U formalism: Structure and energetics of solvated ferrous and ferric ions 32
Electronic-enthalpy functional for finite systems under pressure 31
Vibrational properties of MnO and NiO from DFT +U-based density functional perturbation theory 30
Dispersible exfoliated zeolite nanosheets and their application as a selective membrane 30
Spin states and hyperfine interactions of iron incorporated in MgSiO 3 post-perovskite 29
Density functional theory study on the adsorption of H 2S and other claus process tail gas components on copper- and silver-exchanged Y zeolites 28
Hubbard-corrected density functional perturbation theory with ultrasoft pseudopotentials 26
Ab Initio Electron-Phonon Interactions in Correlated Electron Systems 26
Thermoelasticity of Fe3+- and Al-bearing bridgmanite: Effects of iron spin crossover 25
Realistic quantitative descriptions of electron transfer reactions: Diabatic free-energy surfaces from first-principles molecular dynamics 25
The Hubbard U correction for iron-bearing minerals: A discussion based on (Mg,Fe)SiO3 perovskite 25
A unified electrostatic and cavitation model for first-principles molecular dynamics in solution 25
Optimizing accuracy and efficacy in data-driven materials discovery for the solar production of hydrogen 25
Magnetic Energy Landscape of a Dymolybdenum Tetraacetate on a Bulk Insulator Surface 25
Thermoelasticity of Fe2+-bearing bridgmanite 24
Self-consistent Hubbard parameters from density-functional perturbation theory in the ultrasoft and projector-augmented wave formulations 24
A non-perturbative treatment of the generalized Su-Schrieffer-Heeger Hamiltonian on a dimer 23
First-principles study for low-spin LaCoO3 with a structurally consistent Hubbard U 23
Simulation of heme using DFT + U: a step toward accurate spin-state energetics 23
LDA+Usc calculations of phase relations in FeO 22
Pulay forces in density-functional theory with extended Hubbard functionals: From nonorthogonalized to orthogonalized manifolds 22
Role of electronic localization in the phosphorescence of iridium sensitizing dyes 21
Methylation of ethene by surface methoxides: A periodic PBE+D study across zeolites 21
First-principles study of electronic and structural properties of CuO 21
Structural phase transition path-following and stable phase scouting through a coupled DFT-BFB algorithm 21
Origin of magnetic interactions and their influence on the structural properties of Ni2MnGa and related compounds 21
The Li intercalation potential of LiMPO 4 and LiMSiO 4 olivines with M = Fe, Mn, Co, Ni 21
Energy Level Alignment at the Cobalt Phosphate/Electrolyte Interface: Intrinsic Stability vs Interfacial Chemical Reactions in 5 V Lithium Ion Batteries 21
First principles calculation of the electronic properties and lattice dynamics of Cu 2ZnSn(S 1-xSe x) 4 20
Spin-state crossover and hyperfine interactions of ferric iron in MgSiO3 perovskite 20
First-principles Hubbard U approach for small molecule binding in metal-organic frameworks 19
Hubbard-corrected DFT energy functionals: The LDA+U description of correlated systems 19
The different story of π bonds 19
Phase separation in Li x FePO 4 induced by correlation effects 16
Structural, electronic, and magnetic properties of Fe2SiO4 fayalite: Comparison of LDA and GGA results 16
Thermoelastic Properties of [Formula presented]-Perovskite: Insights on the Nature of the Earth’s Lower Mantle 15
Linear response approach to the calculation of the effective interaction parameters in the LDA+U method 11
First-principles prediction of redox potentials in transition-metal compounds with LDA + U 11
Accurate Electronic Properties and Intercalation Voltages of Olivine-Type Li-Ion Cathode Materials from Extended Hubbard Functionals 3
HP - A code for the calculation of Hubbard parameters using density-functional perturbation theory 3
Totale 1.661
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Categoria #
all - tutte 9.950
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 9.950
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/202036 0 0 0 2 6 7 6 15 0 0 0 0
2020/202143 1 0 0 0 3 1 8 14 8 3 3 2
2021/2022211 10 1 4 3 1 2 2 8 11 3 44 122
2022/2023671 91 46 7 31 48 60 0 32 340 2 11 3
2023/2024184 20 23 8 19 26 49 3 11 1 8 6 10
2024/2025103 21 70 9 3 0 0 0 0 0 0 0 0
Totale 1.661