| Unsupervised search of low-lying conformers with spectroscopic accuracy: A two-step algorithm rooted into the island model evolutionary algorithm G Mancini, M Fusè, F Lazzari, B Chandramouli, V Barone The Journal of Chemical Physics 153 (12), 2020 | 39 | 2020 |
| Chemical promenades: Exploring potential‐energy surfaces with immersive virtual reality M Martino, A Salvadori, F Lazzari, L Paoloni, S Nandi, G Mancini, ... Journal of computational chemistry 41 (13), 1310-1323, 2020 | 35 | 2020 |
| Benchmark structures and conformational landscapes of amino acids in the gas phase: A joint venture of machine learning, quantum chemistry, and rotational spectroscopy V Barone, M Fusè, F Lazzari, G Mancini Journal of Chemical Theory and Computation 19 (4), 1243-1260, 2023 | 34 | 2023 |
| Molecular perception for visualization and computation: the proxima library F Lazzari, A Salvadori, G Mancini, V Barone Journal of chemical information and modeling 60 (6), 2668-2672, 2020 | 30 | 2020 |
| Toward spectroscopic accuracy for the structures of large molecules at DFT cost: Refinement and extension of the nano-LEGO approach V Barone, G Ceselin, F Lazzari, N Tasinato The Journal of Physical Chemistry A 127 (24), 5183-5192, 2023 | 20 | 2023 |
| Integration of quantum chemistry, statistical mechanics, and artificial intelligence for computational spectroscopy: The UV–Vis spectrum of tempo radical in different solvents E Falbo, M Fusè, F Lazzari, G Mancini, V Barone Journal of Chemical Theory and Computation 18 (10), 6203-6216, 2022 | 20 | 2022 |
| Hunting for complex organic molecules in the interstellar medium: the role of accurate low-cost theoretical geometries and rotational constants V Barone, F Lazzari The Journal of Physical Chemistry A 127 (49), 10517-10527, 2023 | 16 | 2023 |
| Accurate structures and spectroscopic parameters of guanine tautomers in the gas phase by the Pisa conventional and explicitly correlated composite schemes (PCS and PCS-F12) V Barone, S Di Grande, F Lazzari, M Mendolicchio The Journal of Physical Chemistry A 127 (32), 6771-6778, 2023 | 16 | 2023 |
| Fast exploration of potential energy surfaces with a joint venture of quantum chemistry, evolutionary algorithms and unsupervised learning G Mancini, M Fusè, F Lazzari, V Barone Digital Discovery 1 (6), 790-805, 2022 | 15 | 2022 |
| Accurate geometries of large molecules by integration of the Pisa composite scheme and the templating synthon approach F Lazzari, M Mendolicchio, V Barone The Journal of Physical Chemistry A 128 (7), 1385-1395, 2024 | 11 | 2024 |
| Bringing Machine‐Learning Enhanced Quantum Chemistry and Microwave Spectroscopy to Conformational Landscape Exploration: the Paradigmatic Case of 4‐Fluoro‐Threonine V Barone, M Fusè, R Aguado, S Potenti, I León, ER Alonso, S Mata, ... Chemistry–A European Journal 29 (24), e202203990, 2023 | 11 | 2023 |
| PROTEUS: an immersive tool for exploring the world of cultural heritage across space and time scales N Albertini, J Baldini, A Dal Pino, F Lazzari, S Legnaioli, V Barone Heritage Science 10 (1), 71, 2022 | 11 | 2022 |
| Accurate structures and rotational constants of steroid hormones at DFT cost: Androsterone, testosterone, estrone, β-estradiol, and estriol L Uribe, S Di Grande, L Crisci, F Lazzari, M Mendolicchio, V Barone The Journal of Physical Chemistry A 128 (13), 2629-2642, 2024 | 10 | 2024 |
| DFT meets wave-function methods for accurate structures and rotational constants of histidine, tryptophan, and proline V Barone, LM Uribe Grajales, S Di Grande, F Lazzari, M Mendolicchio The Journal of Physical Chemistry A 127 (36), 7534-7543, 2023 | 7 | 2023 |
| PROTEUS: an immersive tool for traveling across space and time scales N Albertini, J Baldini, A Dal Pino, F Lazzari, S Legnaioli, V Barone | 1 | 2021 |
| Continuous Perception for Immersive Interaction and Computation in Molecular Sciences F Lazzari Scuola Normale Superiore, 2023 | | 2023 |
| Implementation, validation and application of a new software for automatic Molecular Perception F LAZZARI | | 2018 |
Vincenzo BaroneProfessore di Chimica Teorica e Computazionale Scuola Normale SuperioreCorreu electrònic verificat a sns.it