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  1. 461

    Multi-Material Topology Optimization Taking into Account the Position of Material Interfaces in 3D by Robert Renz, Niklas Frank, Albert Albers

    Published 2025-07-01
    “…In this article, a method for the consideration of adhesive-bonded interfaces in multi-material topology optimization in 3D by means of an objective function is developed. …”
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  2. 462

    Synergistic Machine Learning Guided Discovery of ABa3(BSe3)2X (A = Rb, Cs; X = Cl, Br, I): A Promising Family as Property‐Balanced IR Functional Materials by Yihan Yun, Mengfan Wu, Zhihua Yang, Guangmao Li, Shilie Pan

    Published 2025-06-01
    “…Abstract Discovering novel infrared functional materials (IRFMs) hold tremendous significance for laser industry. …”
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    The Best DFT Functional Is the Ensemble of Functionals by Yuting Rui, Yuxinxin Chen, Elena Ivanova, Vignesh Balaji Kumar, Szymon Śmiga, Ireneusz Grabowski, Pavlo O. Dral

    Published 2024-12-01
    “…Abstract The development of better density functional theory (DFT) methods is one of the most active research areas, given the importance of DFT for ubiquitous molecular and materials simulations. …”
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    Solid-state proton conduction in graphene-derived nanomaterials by Sweety Gupta, Palak Mehra, Amit Paul

    Published 2025-01-01
    Subjects: “…graphene-derived materials…”
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