Jäger, Marc ; Schäfer, Rolf ; Johnston, Roy L. (2018)
First principles global optimization of metal clusters and nanoalloys.
In: Advances in Physics: X: APX, 3 (1)
doi: 10.1080/23746149.2018.1516514
Artikel, Bibliographie
Dies ist die neueste Version dieses Eintrags.
Kurzbeschreibung (Abstract)
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 by the development of more powerful computer hardware as well as more efficient algorithms. In this review, recent advances in first principle global optimization methods are described, with the main focus on genetic algorithms coupled with density functional theory for optimizing sub-nanometre metal clusters and nanoalloys.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 2018 |
| Autor(en): | Jäger, Marc ; Schäfer, Rolf ; Johnston, Roy L. |
| Art des Eintrags: | Bibliographie |
| Titel: | First principles global optimization of metal clusters and nanoalloys |
| Sprache: | Englisch |
| Publikationsjahr: | 2018 |
| Verlag: | Taylor & Francis |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | Advances in Physics: X: APX |
| Jahrgang/Volume einer Zeitschrift: | 3 |
| (Heft-)Nummer: | 1 |
| DOI: | 10.1080/23746149.2018.1516514 |
| Zugehörige Links: | |
| Kurzbeschreibung (Abstract): | 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 by the development of more powerful computer hardware as well as more efficient algorithms. In this review, recent advances in first principle global optimization methods are described, with the main focus on genetic algorithms coupled with density functional theory for optimizing sub-nanometre metal clusters and nanoalloys. |
| Sachgruppe der Dewey Dezimalklassifikatin (DDC): | 500 Naturwissenschaften und Mathematik > 530 Physik |
| Fachbereich(e)/-gebiet(e): | 05 Fachbereich Physik 05 Fachbereich Physik > Institut für Festkörperphysik (2021 umbenannt in Institut für Physik Kondensierter Materie (IPKM)) 07 Fachbereich Chemie 07 Fachbereich Chemie > Eduard Zintl-Institut 07 Fachbereich Chemie > Eduard Zintl-Institut > Fachgebiet Physikalische Chemie |
| Hinterlegungsdatum: | 02 Aug 2024 12:38 |
| Letzte Änderung: | 02 Aug 2024 12:38 |
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| Suche nach Titel in: | TUfind oder in Google |
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First principles global optimization of metal clusters and nanoalloys. (deposited 01 Mär 2022 08:08)
- First principles global optimization of metal clusters and nanoalloys. (deposited 02 Aug 2024 12:38) [Gegenwärtig angezeigt]
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