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Global Optimization of Free and Supported Clusters

by: Riccardo Ferrando
In Metal Clusters and Nanoalloys (2013), pp. 195-214, doi:10.1007/978-1-4614-3643-0_6  Key: citeulike:12010575

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Abstract

The problem of searching for the lowest-energy structures of nanoparticles is considered. This problem is known as global optimization. After explaining some general features of the potential energy surface (PES) of nanoparticles, we focus on the Basin-hopping (BH) algorithm and its variants. Applications to specific systems are discussed, both for free and supported nanoparticles.


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