First principles global optimization of metal clusters and nanoalloys

First principles global optimization of metal clusters and nanoalloys

The global optimization of nanoparticles, such as pure or bimetallic metal clusters, has become a very important and sophisticated research field in modern nanoscience. The possibility of using more rigorous quantum chemical first principle methods during the global optimization has been facilitated...

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Bibliographic Details
Main Authors: Marc Jäger, Rolf Schäfer, Roy L. Johnston
Format: Article
Language:English
Published: Taylor & Francis Group 2018-01-01
Series:Advances in Physics: X
Subjects:
First Principles
ab initio
global optimization
metal clusters
nanoparticles
nanoalloys
genetic algorithms
electronic structure methods
global minimum
quantum chemistry
density functional theory
DFT
Online Access:http://dx.doi.org/10.1080/23746149.2018.1516514

Internet

http://dx.doi.org/10.1080/23746149.2018.1516514

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