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cond-mat.mtrl-sci2026
'pySNOW': a Python Suite for the NanO-World
Sofia Zinzani, Gilberto Nardi, Giacomo Becatti +4
In computational materials science, numerical simulations are indispensable tools for revealing atomic-scale processes. For building blocks of the nanoworld, such as nanoparticles…
cond-mat.mtrl-sci2021★ 8 cited
Accelerating the theoretical study of Li-polysulphide adsorption on single-atom catalysts via machine learning approaches
Eleftherios I. Andritsos, Kevin Rossi
Unlocking the design of Li-S batteries where no shuttle effects appears, and thus their energy storage capacity does not diminish over time, would enable the manufacturing of energ…