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- W4306179047 abstract "Using various approximate total-energy methods, we are studying the energetic and structural properties of clusters with more than one type of atoms of which at least one type is a metal. In order to study larger classes of sizes and/or stoichiometries, we have to rely on less accurate total-energy methods, most notably the density-functional tight-binding (DFTB) method and embedded-atom method (EAM). The structures that are studied are either parts of crystalline compounds or determined through unbiased structure optimizations. The goal is to study larger classes of sizes and/or stoichiometries and, therefore, various descriptors are employed in order to extract chemical and physical understanding from the large amount of data that result from such calculations." @default.
- W4306179047 created "2022-10-14" @default.
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- W4306179047 date "2023-01-01" @default.
- W4306179047 modified "2023-09-27" @default.
- W4306179047 title "Bimetallic clusters" @default.
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- W4306179047 doi "https://doi.org/10.1016/b978-0-12-822943-9.00006-1" @default.
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