CARNIMEO, IVAN
CARNIMEO, IVAN
Istituto Officina dei Materiali - IOM -
Quantum ESPRESSO towards performance portability: GPU offload with OpenMP
2024 Ruffino, Fabrizio Ferrari; Bellentani, Laura; Rossi, Giacomo; Affinito, Fabio; Baroni, Stefano; Baseggio, Oscar; Delugas, Pietro; Giannozzi, Paolo; Kurzak, Jakub; Luo, Ye; O'Reilly, Ossian; Orlandini, Sergio; Carnimeo, Ivan
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
Quantum ESPRESSO: One Further Step toward the Exascale
2023 Carnimeo, Ivan; Affinito, Fabio; Baroni, Stefano; Baseggio, Oscar; Bellentani, Laura; Bertossa, Riccardo; Delugas, Pietro Davide; Ruffino, Fabrizio Ferrari; Orlandini, Sergio; Spiga, Filippo; Giannozzi, Paolo
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
Development, Validation, and Pilot Application of a Generalized Fluctuating Charge Model for Computational Spectroscopy in Solution
2022 Barone, Vincenzo; Carnimeo, Ivan; Mancini, Giordano; Pagliai, Marco
Quantum ESPRESSO toward the exascale
2020 Giannozzi, P.; Baseggio, O.; Bonfà, P.; Brunato, D.; Car, R.; Carnimeo, I.; Cavazzoni, C.; De Gironcoli, S.; Delugas, P.; Ferrari Ruffino, F.; Ferretti, A.; Marzari, N.; Timrov, I.; Urru, A.; Baroni, S.
Accurate Vibrational-Rotational Parameters and Infrared Intensities of 1-Bromo-1-fluoroethene: A Joint Experimental Analysis and Ab Initio Study.
2017 Pietropolli Charmet, Andrea; Stoppa, Paolo; Giorgianni, Santi; Bloino, JULIEN ROLAND MICHEL; Tasinato, Nicola; Carnimeo, Ivan; Biczysko, Malgorzata; Puzzarini, Cristina
Advanced capabilities for materials modelling with Quantum ESPRESSO
2017 Giannozzi, P; Andreussi, O; Brumme, T; Bunau, O; Buongiorno Nardelli, M; Calandra, M; Car, R; Cavazzoni, C; Ceresoli, D; Cococcioni, M; Colonna, N; Carnimeo, I; Dal Corso, A; De Gironcoli, S; Delugas, P; Distasio, Ra; Ferretti, A; Floris, A; Fratesi, G; Fugallo, G; Gebauer, R; Gerstmann, U; Giustino, F; Gorni, T; Jia, J; Kawamura, M; Ko, Hy; Kokalj, A; Kücükbenli, E; Lazzeri, M; Marsili, M; Marzari, N; Mauri, F; Nguyen, Nl; Nguyen, Hv; Oterodelaroza, A; Paulatto, L; Poncé, S; Rocca, D; Sabatini, R; Santra, B; Schlipf, M; Seitsonen, Ap; Smogunov, A; Timrov, I; Thonhauser, T; Umari, P; Vast, N; Wu, Xa; Baroni, S
Toward feasible and comprehensive computational protocol for simulation of the spectroscopic properties of large molecular systems: The anharmonic infrared spectrum of uracil in the solid state by the reduced dimensionality/hybrid VPT2 approach
2015 Fornaro, T; Carnimeo, I; Biczysko, M
Ultrafast resonance energy transfer in the umbelliferone-alizarin bichromophore
2014 Lapini, Andrea; Fabbrizzi, Pierangelo; Piccardo, Matteo; Di Donato, Mariangela; Lascialfari, Luisa; Foggi, Paolo; Cicchi, Stefano; Biczysko, MALGORZATA AGNIESZKA; Carnimeo, Ivan; Santoro, Fabrizio; Cappelli, Chiara; Righini, Roberto
An integrated experimental and quantum-chemical investigation on the vibrational spectra of chlorofluoromethane
2013 Charmet, Andrea Pietropolli; Stoppa, Paolo; Tasinato, Nicola; Giorgianni, Santi; Barone, Vincenzo; Biczysko, Malgorzata; Bloino, Julien; Cappelli, Chiara; Carnimeo, Ivan; Puzzarini, Cristina
Fully ab initio IR spectra for complex molecular systems from perturbative vibrational approaches: Glycine as a test case
2012 Biczysko, Malgorzata; Bloino, Julien; Carnimeo, Ivan; Panek, Pawel; Barone, Vincenzo
Toward anharmonic computations of vibrational spectra for large molecular systems
2012 Barone, Vincenzo; Biczysko, Malgorzata; Bloino, Julien; BorkowskaPanek, Monika; Carnimeo, Ivan; Panek, Pawel
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| Quantum ESPRESSO towards performance portability: GPU offload with OpenMP | 1-gen-2024 | Ruffino, Fabrizio Ferrari; Bellentani, Laura; Rossi, Giacomo; Affinito, Fabio; Baroni, Stefano; Baseggio, Oscar; Delugas, Pietro; Giannozzi, Paolo; Kurzak, Jakub; Luo, Ye; O'Reilly, Ossian; Orlandini, Sergio; Carnimeo, Ivan | |
| 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 | |
| Quantum ESPRESSO: One Further Step toward the Exascale | 1-gen-2023 | Carnimeo, Ivan; Affinito, Fabio; Baroni, Stefano; Baseggio, Oscar; Bellentani, Laura; Bertossa, Riccardo; Delugas, Pietro Davide; Ruffino, Fabrizio Ferrari; Orlandini, Sergio; Spiga, Filippo; Giannozzi, Paolo | |
| 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 | |
| Development, Validation, and Pilot Application of a Generalized Fluctuating Charge Model for Computational Spectroscopy in Solution | 1-gen-2022 | Barone, Vincenzo; Carnimeo, Ivan; Mancini, Giordano; Pagliai, Marco | |
| Quantum ESPRESSO toward the exascale | 1-gen-2020 | Giannozzi, P.; Baseggio, O.; Bonfà, P.; Brunato, D.; Car, R.; Carnimeo, I.; Cavazzoni, C.; De Gironcoli, S.; Delugas, P.; Ferrari Ruffino, F.; Ferretti, A.; Marzari, N.; Timrov, I.; Urru, A.; Baroni, S. | |
| Accurate Vibrational-Rotational Parameters and Infrared Intensities of 1-Bromo-1-fluoroethene: A Joint Experimental Analysis and Ab Initio Study. | 1-gen-2017 | Pietropolli Charmet, Andrea; Stoppa, Paolo; Giorgianni, Santi; Bloino, JULIEN ROLAND MICHEL; Tasinato, Nicola; Carnimeo, Ivan; Biczysko, Malgorzata; Puzzarini, Cristina | |
| Advanced capabilities for materials modelling with Quantum ESPRESSO | 1-gen-2017 | Giannozzi, P; Andreussi, O; Brumme, T; Bunau, O; Buongiorno Nardelli, M; Calandra, M; Car, R; Cavazzoni, C; Ceresoli, D; Cococcioni, M; Colonna, N; Carnimeo, I; Dal Corso, A; De Gironcoli, S; Delugas, P; Distasio, Ra; Ferretti, A; Floris, A; Fratesi, G; Fugallo, G; Gebauer, R; Gerstmann, U; Giustino, F; Gorni, T; Jia, J; Kawamura, M; Ko, Hy; Kokalj, A; Kücükbenli, E; Lazzeri, M; Marsili, M; Marzari, N; Mauri, F; Nguyen, Nl; Nguyen, Hv; Oterodelaroza, A; Paulatto, L; Poncé, S; Rocca, D; Sabatini, R; Santra, B; Schlipf, M; Seitsonen, Ap; Smogunov, A; Timrov, I; Thonhauser, T; Umari, P; Vast, N; Wu, Xa; Baroni, S | |
| Toward feasible and comprehensive computational protocol for simulation of the spectroscopic properties of large molecular systems: The anharmonic infrared spectrum of uracil in the solid state by the reduced dimensionality/hybrid VPT2 approach | 1-gen-2015 | Fornaro, T; Carnimeo, I; Biczysko, M | |
| Ultrafast resonance energy transfer in the umbelliferone-alizarin bichromophore | 1-gen-2014 | Lapini, Andrea; Fabbrizzi, Pierangelo; Piccardo, Matteo; Di Donato, Mariangela; Lascialfari, Luisa; Foggi, Paolo; Cicchi, Stefano; Biczysko, MALGORZATA AGNIESZKA; Carnimeo, Ivan; Santoro, Fabrizio; Cappelli, Chiara; Righini, Roberto | |
| An integrated experimental and quantum-chemical investigation on the vibrational spectra of chlorofluoromethane | 1-gen-2013 | Charmet, Andrea Pietropolli; Stoppa, Paolo; Tasinato, Nicola; Giorgianni, Santi; Barone, Vincenzo; Biczysko, Malgorzata; Bloino, Julien; Cappelli, Chiara; Carnimeo, Ivan; Puzzarini, Cristina | |
| Fully ab initio IR spectra for complex molecular systems from perturbative vibrational approaches: Glycine as a test case | 1-gen-2012 | Biczysko, Malgorzata; Bloino, Julien; Carnimeo, Ivan; Panek, Pawel; Barone, Vincenzo | |
| Toward anharmonic computations of vibrational spectra for large molecular systems | 1-gen-2012 | Barone, Vincenzo; Biczysko, Malgorzata; Bloino, Julien; BorkowskaPanek, Monika; Carnimeo, Ivan; Panek, Pawel |