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Weiyi Xia

Iowa State University

613 Wallace Road

Ames, IA 50011-2063

United States

SCHOLARLY PAPERS

5

DOWNLOADS

161

TOTAL CITATIONS

0

Scholarly Papers (5)

1.

AI-Driven and Quantum-Informed Searches for Rare-Earth Free Magnets: Applications to Fe-Co-X (X=B, C, P, Si, S) Compounds

Number of pages: 66 Posted: 08 Jan 2026
University of Texas at Austin, Iowa State University - Ames Laboratory-USDOE, University of Texas at Austin, University of Texas at Austin - The Oden Institute for Computational Engineering, University of Texas at Austin - The Oden Institute for Computational Engineering and Iowa State University
Downloads 59 (989,921)

Abstract:

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Rare-earth-free permanent magnets, Fe–Co–X ternary compounds, Adaptive genetic algorithms, Density functional theory and pseudopotentials, Machine learning in magnetic materials design

2.

Structure and Magnetism of Metastable Fe8Co8N2 Compound

Number of pages: 21 Posted: 18 Oct 2025
University of Texas at Austin, affiliation not provided to SSRN, Yantai University, Iowa State University, University of Texas at Austin, University of Nebraska at Lincoln, Iowa State University - Ames Laboratory-USDOE, Iowa State University, University of Nebraska at Lincoln, University of Nebraska at Lincoln - Department of Physics and Astronomy, University of Nebraska-Lincoln and Qingdao University
Downloads 44 (1,133,231)

Abstract:

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Fe-Co-N interstitials, magnetocrystalline anisotropy, Fe16N2, adaptive genetic algorithm, Density functional theory, rare-earth-free magnets

3.

Synthesis Challenges, Thermodynamic Stability, and Growth Kinetics of La-Si-P Ternary Compounds

Number of pages: 19 Posted: 21 Nov 2024
Zhejiang University of Technology, Iowa State University, Iowa State University, Iowa State University, Iowa State University and Iowa State University - Ames Laboratory-USDOE
Downloads 37 (1,222,651)

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molecular dynamics simulation, Crystal growth, melting point temperature, machine learning interatomic potential, experimental synthesis, thermodynamic stability, phase competition

4.

exaPD: A highly parallelizable workflow for multi-element phase diagram (PD) construction

Number of pages: 39 Posted: 03 Dec 2025
Government of the United States of America - Ames National Laboratory, Government of the United States of America - Ames National Laboratory, Government of the United States of America - Los Alamos National Laboratory, Government of the United States of America - Los Alamos National Laboratory, Iowa State University, Government of the United States of America - Ames National Laboratory, Government of the United States of America - Ames National Laboratory and Iowa State University - Ames Laboratory-USDOE
Downloads 14 (1,509,872)

Abstract:

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exascale computing, high-performance computing, materials discovery, free energy calculations, thermodynamic modeling

5.

exa-AMD: An Exascale-Ready Framework for Accelerating the Discovery and Design of Functional Materials

Number of pages: 18 Posted: 12 Jun 2026
Iowa State University, Government of the United States of America - Los Alamos National Laboratory, Government of the United States of America - Los Alamos National Laboratory and Iowa State University - Ames Laboratory-USDOE
Downloads 7

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exascale computing, High-Performance Computing, Materials Discovery, Machine learning