Optimality guarantees for crystal structure prediction

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DOI:10.1038/s41586-023-06071-y
作者：Vladimir V. Gusev,?Duncan Adamson,?Argyrios Deligkas,?Dmytro Antypov,?Christopher M. Collins,?Piotr Krysta,?Igor Potapov,?George R. Darling,?Matthew S. Dyer,?Paul Spirakis,?Matthew J. Rosseinsky
文献类型：期刊论文
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Nature

Abstract：Crystalline materials enable essential technologies, and their properties are determined by their structures. Crystal structure prediction can thus play a central part in the design of new f

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