3 papers
cond-mat.mtrl-sci2026
Predicting challenging phase transitions with Bayesian active learning
Lorenzo Bastonero, Gabriel Joalland, Chiara Cignarella +2
Materials underpin modern technologies, from energy harvesting, storage, and conversion to information and communication technologies. Their functionality is often governed by the…
cond-mat.mtrl-sci2025
Quasiparticle effects and strong excitonic features in exfoliable 1D semiconducting materials
Simone Grillo, Chiara Cignarella, Friedhelm Bechstedt +5
We report a comprehensive first-principles study of the electronic and optical properties of recently identified exfoliable one-dimensional semiconducting materials, focusing on ch…
cond-mat.mtrl-sci2025
Extreme anharmonicity and thermal contraction of 1D wires
Chiara Cignarella, Lorenzo Bastonero, Lorenzo Monacelli +1
Ultrathin nanowires could play a central role in next-generation downscaled electronics. Here, we explore some of the most promising candidates identified from previous high-throug…