BARONI, STEFANO
BARONI, STEFANO
Istituto Officina dei Materiali - IOM -
Growth and Redox Properties of Boron on Al(111): Competing Affinities in the Case of Honeycomb AlB2
2024 Biasin, P.; Safari, M.; Ghidorsi, E.; Baronio, S.; Scardamaglia, M.; Preobrajenski, A. B.; Vinogradov, N. A.; Sala, A.; Cepek, C.; de Gironcoli, S.; Baroni, S.; Vesselli, E.
D1.1 First report on MAX software architecture and implementation planning
2023 Delugas, Pietro; Affinito, Fabio; Bellentani, Laura; Baseggio, Oscar; Cardoso, Claudia; Carnimeo, Ivan; Delugas, Pietro; FERRARI RUFFINO, Fabrizio; Ferretti, Andrea; Garcia, Alberto; Genovese, Luigi; Michalicek, Gregor; Spallanzani, Nicola; Sangalli, Davide; Wortmann, Daniel; Baroni, Stefano
D1.2 First release of MAX software: report on performed and planned refactoring
2023 Wortmann, Daniel; Affinito, Fabio; Baroni, Stefano; Bellentani, Laura; Baseggio, Oscar; Carnimeo, Ivan; Delugas, Pietro; FERRARI RUFFINO, Fabrizio; Ferretti, Andrea; Garcia, Alberto; Giannozzi, Paolo; Genovese, Luigi; Orlandini, Sergio; Sangalli, Davide; Spallanzani, Nicola; Varsano, Daniele
D1.5 Third release of MAX software: Final report on restructuring, exascale readiness and inter-code libraries
2022 Baroni, Stefano; Carnimeo, Ivan; Degomme, Augustin; Delugas, Pietro; DE GIRONCOLI, STEFANO MARIA; Marini, Andrea; Sangalli, Davide; Varsano, Daniele; FERRARI RUFFINO, Fabrizio; Ferretti, Andrea; Garcia, Alberto; Genovese, Luigi; Giannozzi, Paolo; Kozhevnikov, Anton; Marri, Ivan; Spallanzani, Nicola; Daniel Wortmann, And
D2.3 Third release of MAX software: Report on the release of documentation of the performance optimised parts
2022 Wortmann, Daniel; Baroni, Stefano; Degomme, Augustin; Delugas, Pietro; DE GIRONCOLI, STEFANO MARIA; Ferretti, Andrea; Garcia, Alberto; Genovese, Luigi; Giannozzi, Paolo; Kozhevnikov, Anton; Spallanzani, Nicola
D2.2 Second release of MAX software: Report on performance achieved
2020 Wortmann, Daniel; Baroni, Stefano; Degomme, Augustin; Delugas, Pietro; DE GIRONCOLI, STEFANO MARIA; Ferretti, Andrea; Garcia, Alberto; Genovese, Luigi; Giannozzi, Paolo; Kozhevnikov, Anton; Spallanzani, Nicola
Second release of M A X software: Report on first common APIs, data structures and domain-specific libraries
2020 Baroni, Stefano; Degomme, Augustin; Delugas, Pietro; DE GIRONCOLI, STEFANO MARIA; Marini, Andrea; Sangalli, Davide; Varsano, Daniele; FERRARI RUFFINO, Fabrizio; Ferretti, Andrea; Garcia, Alberto; Genovese, Luigi; Giannozzi, Paolo; Kozhevnikov, Anton; Marri, Ivan; Spallanzani, Nicola; Wortmann, Daniel
Modeling heat transport in crystals and glasses from a unified lattice-dynamical approach
2019 Isaeva, L; Barbalinardo, G; Donadio, D; Baroni, S
Theory and Numerical Simulation of Heat Transport in Multicomponent Systems
2019 Bertossa R.; Grasselli F.; Ercole L.; Baroni S.
Topological quantization and gauge invariance of charge transport in liquid insulators
2019 Grasselli, F; Baroni, S
Unraveling the molecular mechanisms of color expression in anthocyanins
2019 Rusishvili, Mariami; Grisanti, Luca; Laporte, Sara; Micciarelli, Marco; Rosa, Marta; Robbins, Rebecca J.; Collins, Tom; Magistrato, Alessandra; Baroni, Stefano
Density-functional perturbation theory for quasi-harmonic calculations
2018 Baroni, S; Giannozzi, P; Isaev, E
Spin dynamics from time-dependent density functional perturbation theory
2018 Gorni T.; Timrov I.; Baroni S.
Ab initio study of electron energy loss spectra of bulk bismuth up to 100 eV
2017 Timrov I.; Markov M.; Gorni T.; Raynaud M.; Motornyi O.; Gebauer R.; Baroni S.; Vast N.
Accurate thermal conductivities from optimally short molecular dynamics simulations
2017 Ercole L.; Marcolongo A.; Baroni S.
Gauge Invariance of Thermal Transport Coefficients
2016 Ercole L.; Marcolongo A.; Umari P.; Baroni S.
Sampling Molecular Conformers in Solution with Quantum Mechanical Accuracy at a Nearly Molecular-Mechanics Cost
2016 Rosa, M; Micciarelli, M; Laio, A; Baroni, S
Approximate treatment of semicore states in GW calculations with application to Au clusters
2014 Xian, Jiawei; Baroni, Stefano; Umari, P.
Energy-level alignment in organic dye-sensitized TiO<sub>2</sub> from GW calculations
2013 Umari, P; Giacomazzi, L; De Angelis, F; Pastore, M; Baroni, Stefano
Accelerating GW calculations with optimal polarizability basis
2011 Umari, P; Qian, X; Marzari, N; Stenuit, G; Giacomazzi, L; Baroni, S
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| Growth and Redox Properties of Boron on Al(111): Competing Affinities in the Case of Honeycomb AlB2 | 1-gen-2024 | Biasin, P.; Safari, M.; Ghidorsi, E.; Baronio, S.; Scardamaglia, M.; Preobrajenski, A. B.; Vinogradov, N. A.; Sala, A.; Cepek, C.; de Gironcoli, S.; Baroni, S.; Vesselli, E. | |
| D1.1 First report on MAX software architecture and implementation planning | 1-gen-2023 | Delugas, Pietro; Affinito, Fabio; Bellentani, Laura; Baseggio, Oscar; Cardoso, Claudia; Carnimeo, Ivan; Delugas, Pietro; FERRARI RUFFINO, Fabrizio; Ferretti, Andrea; Garcia, Alberto; Genovese, Luigi; Michalicek, Gregor; Spallanzani, Nicola; Sangalli, Davide; Wortmann, Daniel; Baroni, Stefano | |
| D1.2 First release of MAX software: report on performed and planned refactoring | 1-gen-2023 | Wortmann, Daniel; Affinito, Fabio; Baroni, Stefano; Bellentani, Laura; Baseggio, Oscar; Carnimeo, Ivan; Delugas, Pietro; FERRARI RUFFINO, Fabrizio; Ferretti, Andrea; Garcia, Alberto; Giannozzi, Paolo; Genovese, Luigi; Orlandini, Sergio; Sangalli, Davide; Spallanzani, Nicola; Varsano, Daniele | |
| D1.5 Third release of MAX software: Final report on restructuring, exascale readiness and inter-code libraries | 1-gen-2022 | Baroni, Stefano; Carnimeo, Ivan; Degomme, Augustin; Delugas, Pietro; DE GIRONCOLI, STEFANO MARIA; Marini, Andrea; Sangalli, Davide; Varsano, Daniele; FERRARI RUFFINO, Fabrizio; Ferretti, Andrea; Garcia, Alberto; Genovese, Luigi; Giannozzi, Paolo; Kozhevnikov, Anton; Marri, Ivan; Spallanzani, Nicola; Daniel Wortmann, And | |
| D2.3 Third release of MAX software: Report on the release of documentation of the performance optimised parts | 1-gen-2022 | Wortmann, Daniel; Baroni, Stefano; Degomme, Augustin; Delugas, Pietro; DE GIRONCOLI, STEFANO MARIA; Ferretti, Andrea; Garcia, Alberto; Genovese, Luigi; Giannozzi, Paolo; Kozhevnikov, Anton; Spallanzani, Nicola | |
| D2.2 Second release of MAX software: Report on performance achieved | 1-gen-2020 | Wortmann, Daniel; Baroni, Stefano; Degomme, Augustin; Delugas, Pietro; DE GIRONCOLI, STEFANO MARIA; Ferretti, Andrea; Garcia, Alberto; Genovese, Luigi; Giannozzi, Paolo; Kozhevnikov, Anton; Spallanzani, Nicola | |
| Second release of M A X software: Report on first common APIs, data structures and domain-specific libraries | 1-gen-2020 | Baroni, Stefano; Degomme, Augustin; Delugas, Pietro; DE GIRONCOLI, STEFANO MARIA; Marini, Andrea; Sangalli, Davide; Varsano, Daniele; FERRARI RUFFINO, Fabrizio; Ferretti, Andrea; Garcia, Alberto; Genovese, Luigi; Giannozzi, Paolo; Kozhevnikov, Anton; Marri, Ivan; Spallanzani, Nicola; Wortmann, Daniel | |
| Modeling heat transport in crystals and glasses from a unified lattice-dynamical approach | 1-gen-2019 | Isaeva, L; Barbalinardo, G; Donadio, D; Baroni, S | |
| Theory and Numerical Simulation of Heat Transport in Multicomponent Systems | 1-gen-2019 | Bertossa R.; Grasselli F.; Ercole L.; Baroni S. | |
| Topological quantization and gauge invariance of charge transport in liquid insulators | 1-gen-2019 | Grasselli, F; Baroni, S | |
| Unraveling the molecular mechanisms of color expression in anthocyanins | 1-gen-2019 | Rusishvili, Mariami; Grisanti, Luca; Laporte, Sara; Micciarelli, Marco; Rosa, Marta; Robbins, Rebecca J.; Collins, Tom; Magistrato, Alessandra; Baroni, Stefano | |
| Density-functional perturbation theory for quasi-harmonic calculations | 1-gen-2018 | Baroni, S; Giannozzi, P; Isaev, E | |
| Spin dynamics from time-dependent density functional perturbation theory | 1-gen-2018 | Gorni T.; Timrov I.; Baroni S. | |
| Ab initio study of electron energy loss spectra of bulk bismuth up to 100 eV | 1-gen-2017 | Timrov I.; Markov M.; Gorni T.; Raynaud M.; Motornyi O.; Gebauer R.; Baroni S.; Vast N. | |
| Accurate thermal conductivities from optimally short molecular dynamics simulations | 1-gen-2017 | Ercole L.; Marcolongo A.; Baroni S. | |
| Gauge Invariance of Thermal Transport Coefficients | 1-gen-2016 | Ercole L.; Marcolongo A.; Umari P.; Baroni S. | |
| Sampling Molecular Conformers in Solution with Quantum Mechanical Accuracy at a Nearly Molecular-Mechanics Cost | 1-gen-2016 | Rosa, M; Micciarelli, M; Laio, A; Baroni, S | |
| Approximate treatment of semicore states in GW calculations with application to Au clusters | 1-gen-2014 | Xian, Jiawei; Baroni, Stefano; Umari, P. | |
| Energy-level alignment in organic dye-sensitized TiO<sub>2</sub> from GW calculations | 1-gen-2013 | Umari, P; Giacomazzi, L; De Angelis, F; Pastore, M; Baroni, Stefano | |
| Accelerating GW calculations with optimal polarizability basis | 1-gen-2011 | Umari, P; Qian, X; Marzari, N; Stenuit, G; Giacomazzi, L; Baroni, S |