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Yuji Ikeda

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Review Open access Aug 2026

Atomistic simulations of high-entropy alloys: from density functional theory to machine-learning interatomic potentials

This review aims to provide a comprehensive perspective on the ongoing transition from conventional DFT-based simulations toward scalable, statistically rigorous, and predictive atomistic modeling frameworks for HEAs and related compositionally complex materials.

Yuji Ikeda, Xiang Xu, Pranav Kumar et al. · Journal of Materials Science · 0 citations