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    Cluster expansion toward nonlinear modeling and classification

    Cluster expansion toward nonlinear modeling and classification द्वारा Adrian Stroth, Claudia Draxl, Santiago Rigamonti

    प्रकाशित 2025-07-01

    A quantitative first-principles description of complex substitutional materials such as alloys is challenging due to the vast number of configurations and the high computational cost of solving the quantum mechanical problem. Therefore, materials properties must be modeled. The cluster expansion (CE...

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