3 papers
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
A sulfonitride transparent conductive thin film with ultra-high refractive index
Eugène Bertin, Shima Kadkhodazadeh, José MarÃa Castillo-Robles +9
With the rise of AI-assisted materials screening, extraordinary properties are now frequently predicted in experimentally uncharted material systems, highlighting the need to devel…
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…