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cond-mat.mtrl-sci2026
Target-Distribution-Guided Cross-Functional Fine-Tuning of Machine-Learning Interatomic Potentials
Yuki Nagai, Bo Thomsen, Motoyuki Shiga
Cross-functional fine-tuning of machine-learning interatomic potentials (MLIPs) is often treated as a relabeling problem, where configurations generated at one density-functional l…
cond-mat.mtrl-sci2023★ 15 cited
Atomic diffusion due to hyperatomic fluctuation for quasicrystals
Yuki Nagai, Yutaka Iwasaki, Koichi Kitahara +3
A quasicrystal is an ordered but non-periodic structure understood as a projection from a higher dimensional periodic structure. Some physical properties of quasicrystals are diffe…