Structure prediction of nano materials

De, Deb Sankar. Structure prediction of nano materials. 2018, Doctoral Thesis, University of Basel, Faculty of Science.

Available under License CC BY-NC-ND (Attribution-NonCommercial-NoDerivatives).


Official URL: http://edoc.unibas.ch/diss/DissB_13557

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This thesis is predominantly on the exploration of configurational space of different
materials of different dimensions using ab initio techniques. We focus on understanding the predicted geometrical configurations and their electronic properties.
For this purpose, we employed MHM to explore the PES as well as identify putative low lying energy structures.
Advisors:Goedecker, Stefan and Bromley, Stefan T.
Faculties and Departments:05 Faculty of Science > Departement Physik > Physik > Physik (Goedecker)
UniBasel Contributors:Goedecker, Stefan
Item Type:Thesis
Thesis Subtype:Doctoral Thesis
Thesis no:13557
Thesis status:Complete
Number of Pages:1 Online-Ressource (150 Seiten)
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edoc DOI:
Last Modified:28 May 2020 04:30
Deposited On:27 May 2020 13:09

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