posted on 2024-12-10, 13:05authored byFlaviano Della Pia, Andrea Zen, Venkat Kapil, Fabian Thiemann, Dario Alfe, Angelos Michaelides
See the Supporting Information for details on the CNTs confining potential, validation of our model with diffusion Monte Carlo, the analysis of the coexistence simulations, tests on the estimates of the diffusion coefficient, and comparison between predictions of the implicit and explicit carbon models.