2 citations · 4 across the 3 of their papers we have counts for
3 papers · 1 filter
Crystal-structure design by agentic AI in a language of motifs
Dinh-Khiet Le, Minh-Quyet Ha, Hong-Phuc Vu-Dinh +3
Data-driven materials discovery interpolates more reliably than it extrapolates and seldom reaches new structure types. We present MatEvolve, an agentic-AI framework designing crys…
Pareto front analysis and multi-objective Bayesian optimization for (R, Z)(Fe,Co,Ti)12 (R = Y, Nd, Sm; Z = Zr, Dy)
Taro Fukazawa, Takashi Miyake
We propose a scheme for investigating the correlation and trade-off among target variables using a multi-objective Bayesian optimization (MBO). We discuss the features of the Paret…
Important descriptors and descriptor groups of Curie temperatures of rare-earth transition-metal binary alloys
Hieu Chi Dam, Viet Cuong Nguyen, Tien Lam Pham +4
We analyze Curie temperatures of rare-earth transition metal binary alloys with machine learning method. In order to select important descriptors and descriptor groups, we introduc…