IRIS Institutional Research Information System - AIR Archivio Istituzionale della Ricerca

CONTE, RICCARDO
 Distribuzione geografica
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Continente #
NA - Nord America 3.239
EU - Europa 2.815
AS - Asia 1.807
SA - Sud America 80
AF - Africa 14
OC - Oceania 7
Continente sconosciuto - Info sul continente non disponibili 2
Totale 7.964
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Nazione #
US - Stati Uniti d'America 3.214
IT - Italia 778
GB - Regno Unito 676
CN - Cina 653
SG - Singapore 601
SE - Svezia 387
RU - Federazione Russa 219
IN - India 188
DE - Germania 185
IE - Irlanda 146
FR - Francia 117
ID - Indonesia 116
CH - Svizzera 72
BR - Brasile 70
FI - Finlandia 59
DK - Danimarca 46
KR - Corea 42
VN - Vietnam 41
JP - Giappone 40
HK - Hong Kong 35
TR - Turchia 31
UA - Ucraina 23
NL - Olanda 19
AT - Austria 18
CA - Canada 18
BE - Belgio 16
GR - Grecia 12
IR - Iran 12
TW - Taiwan 11
ES - Italia 10
AU - Australia 7
CZ - Repubblica Ceca 7
LU - Lussemburgo 6
PL - Polonia 6
IL - Israele 5
IQ - Iraq 5
MX - Messico 5
PH - Filippine 5
SC - Seychelles 5
MY - Malesia 4
ZA - Sudafrica 4
HU - Ungheria 3
PE - Perù 3
SA - Arabia Saudita 3
AR - Argentina 2
CO - Colombia 2
EU - Europa 2
LK - Sri Lanka 2
MA - Marocco 2
NO - Norvegia 2
PK - Pakistan 2
RO - Romania 2
SK - Slovacchia (Repubblica Slovacca) 2
TH - Thailandia 2
UZ - Uzbekistan 2
AZ - Azerbaigian 1
BD - Bangladesh 1
BG - Bulgaria 1
BS - Bahamas 1
CL - Cile 1
CR - Costa Rica 1
EC - Ecuador 1
GE - Georgia 1
JO - Giordania 1
KE - Kenya 1
KG - Kirghizistan 1
LV - Lettonia 1
MD - Moldavia 1
NP - Nepal 1
PT - Portogallo 1
RW - Ruanda 1
TJ - Tagikistan 1
TN - Tunisia 1
VE - Venezuela 1
Totale 7.964
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Città #
Southend 519
Singapore 408
Ashburn 380
Chandler 356
Milan 352
Santa Clara 286
Fairfield 226
Council Bluffs 160
Princeton 154
Wilmington 151
Dublin 145
Cambridge 108
Houston 106
Jakarta 103
Seattle 102
Ann Arbor 94
Woodbridge 90
Beijing 80
Dearborn 78
Bengaluru 64
Des Moines 56
Frankfurt am Main 49
Phoenix 41
Nanjing 36
Redwood City 36
Shanghai 33
Medford 32
San Diego 31
Helsinki 29
Madison 29
Jinan 28
Lappeenranta 27
Berlin 26
Guangzhou 26
Istanbul 24
Kyoto 24
Albinea 23
Nuremberg 22
Boardman 21
Fuzhou 21
Dong Ket 20
Seoul 19
Lausanne 18
Zurich 17
Los Angeles 16
Pune 16
Shenyang 16
London 15
Paris 15
Rome 15
Silver Spring 15
Brussels 14
Central District 14
Wuhan 14
New York 13
Bühl 12
Catania 11
Falls Church 11
Hebei 11
Redmond 11
Tianjin 11
Vienna 11
Mountain View 10
Nanchang 10
Toronto 10
Chicago 9
Cremona 9
Jiaxing 9
Mannheim 9
San Giuliano Terme 9
Zhengzhou 9
Amsterdam 8
Changsha 8
Naples 8
Rho 8
Roxbury 8
São Paulo 8
Andover 7
Boston 7
Brescia 7
Hefei 7
Ithaca 7
Modena 7
Monza 7
Piacenza 7
Yongin-si 7
Central 6
Cinisello Balsamo 6
Dresden 6
Grafing 6
Munich 6
Norwalk 6
Upper Marlboro 6
Xi'an 6
Costa Mesa 5
Fremont 5
Gothenburg 5
Hamburg 5
Hong Kong 5
Incheon 5
Totale 5.164
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Nome #
Machine learning for vibrational spectroscopy via divide-and-conquer semiclassical initial value representation molecular dynamics with application to N-methylacetamide 386
"Divide and conquer" semiclassical molecular dynamics : A practical method for spectroscopic calculations of high dimensional molecular systems 186
An effective semiclassical approach to IR spectroscopy 183
Semiclassical vibrational spectroscopy with Hessian databases 170
On-the-Fly ab Initio Semiclassical Calculation of Glycine Vibrational Spectrum 165
Semiclassical "divide-and-Conquer" Method for Spectroscopic Calculations of High Dimensional Molecular Systems 161
Breaking the Coupled Cluster Barrier for Machine Learned Potentials of Large Molecules: The Case of 15-atom Acetylacetone 160
Semiclassical Initial Value Representation Molecular Dynamics for Spectroscopy 157
Anharmonic vibrational eigenfunctions and infrared spectra from semiclassical molecular dynamics 154
Protonated glycine supramolecular systems: The need for quantum dynamics 152
Semiclassical Molecular Dynamics : a useful Tool for Spectroscopic Interpretation 147
“Divide-and-conquer” semiclassical molecular dynamics : An application to water clusters 136
Semiclassical Vibrational Spectroscopy of Biological Molecules Using Force Fields 136
Semiclassical molecular dynamics for spectroscopic calculations of high dimensional and condensed phase molecular systems 128
A quantum mechanical insight into S(N)2 reactions: Semiclassical initial value representation calculations of vibrational features of the Cl-center dot center dot center dot CH3Cl pre-reaction complex with the VENUS suite of codes 124
Sensitivity of semiclassical vibrational spectroscopy to potential energy surface accuracy: A test on formaldehyde. 122
Divide-and-Conquer Semiclassical Dynamics: A Viable Route for Spectroscopic Calculations of High Dimensional Molecular Systems 117
How many water molecules are needed to solvate one? 117
Divide-and-Conquer Semiclassical Dynamics: A Viable Method for Vibrational Spectra Calculations of High Dimensional and Anharmonic Molecular Systems 115
How many water molecules are needed to solvate one? 115
Improved semiclassical dynamics through adiabatic switching trajectory sampling 111
Graphics processing units accelerated semiclassical initial value representation molecular dynamics 106
Reproducing Deep Tunneling Splittings, Resonances, and Quantum Frequencies in Vibrational Spectra From a Handful of Direct Ab Initio Semiclassical Trajectories 106
Caldeira–Leggett model vs ab initio potential: A vibrational spectroscopy test of water solvation 103
Quantum Mechanical Methods for Spectroscopic Calculations of High Dimensional Molecular Systems 101
Semiclassical Molecular Dynamics and its Implementation for Spectroscopic Calculations of High Dimensional and Condensed Phase Molecular Systems 100
Efficient Generation of Permutationally Invariant Potential Energy Surfaces for Large Molecules 100
How many water molecules are needed to solvate one? 98
Semiclassical Molecular Dynamics for Spectroscopic Calculations of Complex Systems 97
Quantum and Semiclassical Methods for Molecular Rate Constants and Vibrational Spectra Calculations 95
On-the-fly adiabatically switched semiclassical dynamics for vibrational spectroscopy 95
Ab-initio and force field molecular dynamics applied to vibrational spectroscopy: the case of Deoxyguanosine and Ac-Phe-Met-NH2 93
Semiclassical Methods for Spectroscopic Calculations of High Dimensional Molecular Systems 91
Investigating molecular quantum vibrational frequencies with semiclassical dynamics: theory and application to systems of astrochemical interest 88
A semiclassical investigation of glycine vibrational frequencies 87
Full-dimensional, ab initio potential energy surface for glycine with characterization of stationary points and zero-point energy calculations by means of diffusion Monte Carlo and semiclassical dynamics 86
Vibrational spectroscopy simulation of solvation effects on the g-quadruplex 85
Full-Dimensional Ammonia Vibrational Spectrum from a Handful of Classical Trajectories 83
Semiclassical vibrational spectroscopy : the importance of quantum anharmonicity in supra-molecular systems 80
Full-dimensional Potential Energy Surface for Acetylacetone and Tunneling Splittings 80
Semiclassical Dynamics: A Viable Route to Molecular Spectroscopy 79
Semiclassical vibrational spectroscopy from small molecules to solvated biomolecules 76
Deoxyguanosine and Ac-Phe-Met-NH2 vibrational spectra: a comparison between ab-initio and force field molecular dynamics 76
Semiclassical “Divide-and-Conquer” Method for Spectroscopic Calculations of High Dimensional Molecular Systems 75
Semiclassical “Divide-and-Conquer” Method for Spectroscopic Calculations of High Dimensional Molecular Systems 73
Roaming under the Microscope: Trajectory Study of Formaldehyde Dissociation 73
Anharmonicity and quantum nuclear effects in theoretical vibrational spectroscopy: A molecular tale of two cities 70
Semiclassical “Divide-and-Conquer” Method for Spectroscopic Calculations of High Dimensional Molecular Systems 70
Simulating Vibrational Spectra of Variously-sized Molecules via Multiple Coherent Time Averaging Semiclassical Initial Value Representation 68
Semiclassical Molecular Dynamics for Spectroscopic Calculations 68
From anharmonicity to Nuclear Quantum Effects in medium and large sized molecular systems 66
Permutationally Invariant Polynomial Potential Energy Surfaces for Tropolone and H and D atom Tunneling Dynamics 66
On-the-fly adiabatically switched semiclassical initial value representation molecular dynamics for vibrational spectroscopy of biomolecules 66
Δ-Machine Learned Potential Energy Surfaces and Force Fields 65
Quantum Vibrational Spectroscopy of Biomolecular Systems through Divide-and-Conquer Semiclassical Dynamics 65
A Semiclassical Divide and Conquer method for Spectroscopic calculations of high dimensional molecular systems 61
A semiclassical route to the calculation of IR spectra 61
A CCSD(T)-Based 4-Body Potential for Water 60
q-AQUA: A Many-Body CCSD(T) Water Potential, Including Four-Body Interactions, Demonstrates the Quantum Nature of Water from Clusters to the Liquid Phase 59
Permutationally invariant fitting of many-body, non-covalent interactions with application to three-body methane-water-water 59
Plug and play full-dimensional ab initio potential energy and dipole moment surfaces and anharmonic vibrational analysis for CH4-H2O 58
Full-dimensional, high-level ab initio potential energy surfaces for H2(H2O) and H2(H2O)2 with application to hydrogen clathrate hydrates 58
The complex vibrational spectrum of proline explained through the adiabatically switched semiclassical initial value representation 58
How many water molecules are needed to solvate one? 57
Zwitter Ionization of Glycine at Outer Space Conditions due to Microhydration by Six Water Molecules 55
Using AS SCIVR to understand Proline vibrational spectrum 54
Unraveling Water Solvation Effects with Quantum Mechanics/Molecular Mechanics Semiclassical Vibrational Spectroscopy: The Case of Thymidine 53
Δ-machine learning for potential energy surfaces: A PIP approach to bring a DFT-based PES to CCSD(T) level of theory 53
Direct evaluation of the density of states of simple metal clusters via forced oscillator method (FOM): A preliminary report 52
Quasiclassical vibrational spectroscopy of the g-Quadruplex With Empirical Force Fields 49
Permutationally invariant polynomial regression for energies and gradients, using reverse differentiation, achieves orders of magnitude speed-up with high precision compared to other machine learning methods 46
Implementations of Semiclassical Approximations for Spectroscopic and Vibrational Eigenfunction Calculations 46
Collisional energy transfer in highly excited molecules 45
Ring-Polymer Instanton Tunneling Splittings of Tropolone and Isotopomers using a Δ-Machine Learned CCSD(T) Potential: Theory and Experiment Shake Hands 44
Quantum Vibrational Spectroscopy of Explicitly Solvated Thymidine in Semiclassical Approximation 44
Derivation of an empirical potential for gold with angular corrections 43
Communication: A benchmark-quality, full-dimensional ab initio potential energy surface for Ar-HOCO 43
Classical trajectory study of energy transfer in collisions of highly excited allyl radical with argon 43
Vibrational spectroscopy simulation of solvation effects on a G-quadruplex 43
Continuum limit frozen Gaussian approximation for the reduced thermal density matrix of dissipative systems 42
Comparison between different Gaussian series representations of the imaginary time propagator 40
Direct evaluation via forced oscillation method of the electronic state density of sizable clusters 39
Trajectory and Model Studies of Collisions of Highly Excited Methane with Water Using an ab Initio Potential 39
The first HyDRA challenge for computational vibrational spectroscopy 38
MULTIMODE Calculations of Vibrational Spectroscopy and 1d Interconformer Tunneling Dynamics in Glycine Using a Full-Dimensional Potential Energy Surface 38
Investigating the Spectroscopy of the Gas Phase Guanine-Cytosine Pair: Keto versus Enol Configurations 37
A novel Gaussian Binning (1GB) analysis of vibrational state distributions in highly excited H2O from reactive quenching of OH* by H 2 37
Semiclassical vibrational spectroscopy of water-based systems 36
Quantum Calculations on a New CCSD(T) Machine-Learned Potential Energy Surface Reveal the Leaky Nature of Gas-Phase Trans and Gauche Ethanol Conformers 35
Using AS SCIVR to understand Proline vibrational spectrum 34
PESPIP: Software to Fit Complex Molecular and Many-body Potential Energy Surfaces with Permutationally Invariant Polynomials 33
Laser light polarization plastic visualizer: Light scattering distribution and anisotropy 33
Assessing Permutationally Invariant Polynomial and Symmetric Gradient Domain Machine Learning Potential Energy Surfaces for H3O2– 33
Semiclassical Molecular Dynamics as a useful tool for Nuclear Spectroscopy 31
A model for energy transfer in collisions of atoms with highly excited molecules 31
Semiclassical Molecular Dynamics for Spectroscopy 30
Machine learning classification can significantly reduce the cost of calculating the Hamiltonian matrix in CI calculations 29
No Headache for PIPs: A PIP Potential for Aspirin Runs Much Faster and with Similar Precision Than Other Machine-Learned Potentials 29
A quantum journey into uncharted waters 29
Ab Initio Potential Energy Surface for NaCl–H2 with Correct Long-Range Behavior 28
Totale 8.037
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Categoria #
all - tutte 36.012
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 36.012
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/2020348 0 0 0 0 0 0 0 0 146 122 36 44
2020/20211.158 147 95 67 24 108 140 25 67 139 115 123 108
2021/20221.134 135 84 34 44 101 114 60 65 67 95 94 241
2022/20231.503 165 154 149 126 125 260 66 106 114 43 135 60
2023/20241.364 45 61 80 66 199 90 51 288 57 97 150 180
2024/20251.930 108 406 91 263 434 145 140 293 50 0 0 0
Totale 8.502