Articoli con mandati relativi all'accesso pubblico - Stefano BaroniUlteriori informazioni
Non disponibili pubblicamente: 4
Optical properties of anthocyanins in the gas phase
X Ge, A Calzolari, S Baroni
Chemical Physics Letters 618, 24-29, 2015
Mandati: Governo Italiano
Approximate treatment of semicore states in GW calculations with application to Au clusters
J Xian, S Baroni, P Umari
The Journal of Chemical Physics 140 (12), 2014
Mandati: Governo Italiano
From borophene polymorphs towards a single honeycomb borophane phase: reduction of hexagonal boron layers on Al (111)
P Biasin, M Safari, E Ghidorsi, S Baronio, M Scardamaglia, ...
Nanoscale 15 (45), 18407-18414, 2023
Mandati: Swedish Research Council for Environment, Agricultural Sciences and Spatial …
Growth and Redox Properties of Boron on Al(111): Competing Affinities in the Case of Honeycomb AlB2
P Biasin, M Safari, E Ghidorsi, S Baronio, M Scardamaglia, ...
ACS nano, 2024
Mandati: Swedish Research Council for Environment, Agricultural Sciences and Spatial …
Disponibili pubblicamente: 39
Advanced capabilities for materials modelling with Quantum ESPRESSO
P Giannozzi, O Andreussi, T Brumme, O Bunau, MB Nardelli, M Calandra, ...
Journal of physics: Condensed matter 29 (46), 465901, 2017
Mandati: US National Science Foundation, US Department of Energy, Swiss National …
Quantum ESPRESSO toward the exascale
P Giannozzi, O Baseggio, P Bonfà, D Brunato, R Car, I Carnimeo, ...
The Journal of chemical physics 152 (15), 2020
Mandati: Swiss National Science Foundation, US National Institutes of Health
density functional perturbation theory for quasirharmonic calculaions
S Baroni
Mandati: Swedish Research Council
turboEELS—A code for the simulation of the electron energy loss and inelastic X-ray scattering spectra using the Liouville–Lanczos approach to time-dependent density …
I Timrov, N Vast, R Gebauer, S Baroni
Computer Physics Communications 196, 460-469, 2015
Mandati: Governo Italiano
Discovery of a natural cyan blue: A unique food-sourced anthocyanin could replace synthetic brilliant blue
PR Denish, JA Fenger, R Powers, GT Sigurdson, L Grisanti, ...
Science advances 7 (15), eabe7871, 2021
Mandati: US National Science Foundation, US National Institutes of Health
Heat transport in liquid water from first-principles and deep neural network simulations
D Tisi, L Zhang, R Bertossa, H Wang, R Car, S Baroni
Physical Review B 104 (22), 224202, 2021
Mandati: US National Science Foundation, US Department of Energy, National Natural …
Nanoscale dynamics by short-wavelength four wave mixing experiments
F Bencivenga, S Baroni, C Carbone, M Chergui, MB Danailov, ...
New Journal of Physics 15 (12), 123023, 2013
Mandati: European Commission
Fast hybrid density-functional computations using plane-wave basis sets
I Carnimeo, S Baroni, P Giannozzi
Electronic Structure 1 (1), 015009, 2019
Mandati: Governo Italiano
Roadmap on electronic structure codes in the exascale era
V Gavini, S Baroni, V Blum, DR Bowler, A Buccheri, JR Chelikowsky, ...
Modelling and Simulation in Materials Science and Engineering 31 (6), 063301, 2023
Mandati: US Department of Energy, US Department of Defense, Department of Science …
Viscosity in water from first-principles and deep-neural-network simulations
C Malosso, L Zhang, R Car, S Baroni, D Tisi
npj Computational Materials 8 (1), 139, 2022
Mandati: US Department of Energy, Governo Italiano
Quantum ESPRESSO: One Further Step toward the Exascale
I Carnimeo, F Affinito, S Baroni, O Baseggio, L Bellentani, R Bertossa, ...
Journal of Chemical Theory and Computation 19 (20), 6992-7006, 2023
Mandati: European Commission
Heat and charge transport in H2O at ice-giant conditions from ab initio molecular dynamics simulations
F Grasselli, L Stixrude, S Baroni
Nature Communications 11 (1), 3605, 2020
Mandati: US National Science Foundation
Spin dynamics from time-dependent density functional perturbation theory
T Gorni, I Timrov, S Baroni
The European Physical Journal B 91 (10), 249, 2018
Mandati: Governo Italiano
Temperature- and vacancy-concentration-dependence of heat transport in Li3ClO from multi-method numerical simulations
P Pegolo, S Baroni, F Grasselli
npj Computational Materials 8 (1), 24, 2022
Mandati: Swiss National Science Foundation, European Commission, Governo Italiano
Invariance principles in the theory and computation of transport coefficients
F Grasselli, S Baroni
The European Physical Journal B 94, 1-14, 2021
Mandati: Swiss National Science Foundation, European Commission, Governo Italiano
From Green-Kubo to the full Boltzmann kinetic approach to heat transport in crystals and glasses
A Fiorentino, S Baroni
Physical Review B 107 (5), 054311, 2023
Mandati: European Commission, Governo Italiano
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