De, Deb Sankar. Structure prediction of nano materials. 2018, Doctoral Thesis, University of Basel, Faculty of Science.
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Official URL: http://edoc.unibas.ch/diss/DissB_13557
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Abstract
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.
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. |
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| 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) |
| Language: | English |
| Identification Number: |
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| edoc DOI: | |
| Last Modified: | 28 May 2020 04:30 |
| Deposited On: | 27 May 2020 13:09 |
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