3 papers
cond-mat.mtrl-sci2026
A modified Moss rule highlights underexplored classes of high refractive index materials
Eugène Bertin, Finja Tadge, Andrea Crovetto
High refractive index dielectrics are central to photonic applications, yet the empirical Moss rule imposes a fundamental trade-off between refractive index and optical transparenc…
cond-mat.mtrl-sci2026
Rapid estimation of synthesizability windows of inorganic materials from first principles
Finja Tadge, Javier Sanz Rodrigo, Andrea Crovetto
Fast prediction of the synthesizability conditions of materials remains challenging, even assuming synthesis under thermodynamic equilibrium. We combine density functional theory (…
cond-mat.mtrl-sci2026
AI-enhanced discovery and accelerated synthesis of metal phosphosulfides
Javier Sanz Rodrigo, Nicholas A. Kryger-Nelson, Lena A. Mittmann +3
Metal phosphosulfides have emerged as unique multifunctional materials, but they present unique synthesis challenges compared to more established material classes such as oxides an…