2 papers
cond-mat.mtrl-sci2026
Machine-learning screening and first-principles lattice dynamics resolve the most stable structure of NaCa(BH) from a data-driven candidate search
Sanaa Ismail, Ricardo Amaral, Attia A. Gadallah +2
Equimolar NaCa(BH) offers a theoretical hydrogen capacity of 11.24 wt.% and a decomposition enthalpy expected to fall between those of NaBH and Ca(BH), but it h…
cond-mat.mtrl-sci2026
Lead-free piezoelectric perovskites for arterial-pulse e-skin: from configurational complexity to equivariant machine-learning potentials
Sanaa Ismail, Hassan M. E. Azzazy, Zi-Kui Liu
Continuous, non-invasive monitoring of the arterial pulse is a clinical priority for cardiovascular disease, the leading cause of global mortality. Flexible piezoelectric electroni…