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  1. 1
    Accelerating equilibration in first-principles molecular dynamics with orbital-free density functional theory

    Accelerating equilibration in first-principles molecular dynamics with orbital-free density functional theory by Lenz Fiedler, Zhandos A. Moldabekov, Xuecheng Shao, Kaili Jiang, Tobias Dornheim, Michele Pavanello, Attila Cangi

    Published 2022-10-01
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  2. 2
    Predicting electronic structures at any length scale with machine learning

    Predicting electronic structures at any length scale with machine learning by Lenz Fiedler, Normand A. Modine, Steve Schmerler, Dayton J. Vogel, Gabriel A. Popoola, Aidan P. Thompson, Sivasankaran Rajamanickam, Attila Cangi

    Published 2023-06-01
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    Article

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