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), 1-9, 2022 | 24 | 2022 |
Oxidation states, Thouless’ pumps, and nontrivial ionic transport in nonstoichiometric electrolytes P Pegolo, F Grasselli, S Baroni Physical Review X 10 (4), 041031, 2020 | 16 | 2020 |
Hydrodynamic finite-size scaling of the thermal conductivity of glasses A Fiorentino, P Pegolo, S Baroni npj Computational Materials 9 (157), 1-11, 2023 | 8 | 2023 |
Unearthing the foundational role of anharmonicity in heat transport in glasses A Fiorentino, E Drigo, S Baroni, P Pegolo Physical Review B 109 (22), 224202, 2024 | 6 | 2024 |
Thermal transport of glasses via machine learning driven simulations P Pegolo, F Grasselli Frontiers in Materials 11, 1369034, 2024 | 5 | 2024 |
Self-interaction and transport of solvated electrons in molten salts P Pegolo, S Baroni, F Grasselli The Journal of Chemical Physics 159 (9), 2023 | 4 | 2023 |
Topology, oxidation states, and charge transport in ionic conductors P Pegolo, S Baroni, F Grasselli Annalen der Physik 534 (10), 2200123, 2022 | 3 | 2022 |
Charge and heat transport in ionic conductors P Pegolo SISSA, 2023 | 1 | 2023 |
Effects of colored disorder on the heat conductivity of SiGe alloys from first principles A Fiorentino, P Pegolo, S Baroni, D Donadio arXiv preprint arXiv:2408.05155, 2024 | | 2024 |
Seebeck coefficient of ionic conductors from Bayesian regression analysis E Drigo, S Baroni, P Pegolo Journal of Chemical Theory and Computation, 2024 | | 2024 |