3 papers
cond-mat.mtrl-sci2026
An Exchange-Correlation Functional for Fast and Accurate Modeling of Ferroelectric Perovskites
Owain T. Beynon, Chiara Gattinoni
We present a novel exchange correlation functional, C09x-PBEc, which combines C09 exchange with PBE correlation, to accurately model the ferroelectric properties of perovskites whi…
cond-mat.mtrl-sci2026
Non-equilibrium Effects in Vibrational Modes Pumped by Inelastic Tunneling
Chi Ming Yim, Owain T. Beynon, Seunghyun Khim +2
The properties of strongly correlated electron materials exhibit a surprising sensitivity to small lattice distortions, providing an opportunity for their tuning by selective disto…
physics.comp-ph2025
ComProScanner: A multi-agent based framework for composition-property structured data extraction from scientific literature
Aritra Roy, Enrico Grisan, John Buckeridge +1
Since the advent of various pre-trained large language models, extracting structured knowledge from scientific text has experienced a revolutionary change compared with traditional…