3 papers
cond-mat.mtrl-sci2025
High-Entropy Skutterudites as Thermoelectrics: Potential Synthesizability, Enhanced Stability and Band Convergence via the Cocktail Effect
Jose J. Plata, Antonio Morales-Altarejos, Elena R. Remesal +2
High entropy materials offer a promising avenue for thermoelectric materials discovery, design, and optimization. However, the large chemical spaces that need to be explored hamper…
physics.soc-ph2025
AI4X Roadmap: Artificial Intelligence for the advancement of scientific pursuit and its future directions
Stephen G. Dale, Nikita Kazeev, Alastair J. A. Price +65
Artificial intelligence and machine learning are reshaping how we approach scientific discovery, not by replacing established methods but by extending what researchers can probe, p…
physics.chem-ph2025
Comparative Analysis of search Approaches to Discover Donor Molecules for Organic Solar Cells
Mohammed Azzouzi, Steven Bennett, Victor Posligua +3
Identifying organic molecules with desirable properties from the extensive chemical space can be challenging, particularly when property evaluation methods are time-consuming and r…