Structural NanoFingerprint Generation

Identifier:  TFM:1631

Handle: https://hdl.handle.net/20.500.11797/TFM1631

Authors:  Munté Guerrero, Nil

Abstract:
This Master Thesis is focused on the study and generation of Structural NanoFingerprints, representations of metal-oxide nanoparticles based on the local information of their three-dimensional structure. Firstly, it is described their structure. Then, the algorithm implemented in C-language to correctly generate them is described, and tested using a correctness checking algorithm, as well as the study of the computational time of the code and its parts to determine which are the most consuming sections. Finally, the artificial generation of Structural NanoFingerprints is described using Linear and Non-Linear (Multiple) Regression with MATLAB, in which different models are presented.