activity
20152025
most citedPrediction model of band-gap for AX binary compounds by combination of density functional theory calculations and machine learning techniques

341 citations · 346 across the 4 of their papers we have counts for

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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…

cond-mat.mtrl-sci2025

Global structure searches under varying temperatures and pressures using polynomial machine learning potentials: A case study on silicon

Hayato Wakai, Atsuto Seko, Isao Tanaka

Polynomial machine learning potentials (MLPs) based on polynomial rotational invariants have been systematically developed for various systems and applied to efficiently predict cr…