Structural NanoFingerprint Generation

Entity: Universitat Rovira i Virgili (URV)

Confidenciality: No

Education area(s): Enginyeria de la Seguretat Informàtica i Intel·ligència Artificial

APS: No

Title in different languages: Generació d'Structural NanoFingerprint

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.

Subject: Enginyeria informàtica

Academic year: 2022-2023

Language: en

Work's public defense date: 2023-06-15

Subject areas: Computer engineering

Student: Munté Guerrero, Nil

Department: Enginyeria Informàtica i Matemàtiques

Creation date in repository: 2024-04-09

Keywords: Nanoparticle, Structural NanoFingerprint, XYZ file format, Subgraph search, Local Structure, Regression model

Title in original language: Structural NanoFingerprint Generation

Access Rights: info:eu-repo/semantics/openAccess

Project director: Serratosa Casanelles, Francesc