2 papers
cond-mat.mtrl-sci2026
Water Flow Through Polar and Non-Polar Nanopores: Insights from Multiscale Simulations
Elizane E. de Moraes, João Victor Lemos Valle, Bruno H. S. Mendonça +3
Global water stress has emerged as a critical challenge, driving the search for advanced membrane materials that enable efficient, selective water filtration and transport. In this…
cond-mat.supr-con2024
Density functional Bogoliubov-de Gennes theory for superconductors implemented in the SIESTA code
R. Reho, N. Wittemeier, A. H. Kole +2
We present SIESTA-BdG, an implementation of the simultaneous solution of the Bogoliubov-de Gennes (BdG) and Density Functional Theory (DFT) problem in SIESTA, a first-principles me…