Zeolite framework clustering based on data mining

As zeolite become more and more important in the society, the demand of zeolite greatly increased. Thousands of theoretical zeolite structures are suggested, only a few of them come into the world. The development of zeolite is still on the process. People try to come up with various ways to categor...

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Bibliographic Details
Main Author: Ruan, Weili
Other Authors: Lu Yi Hua
Format: Final Year Project
Language:English
Published: 2015
Subjects:
Online Access:http://hdl.handle.net/10356/62357
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Institution: Nanyang Technological University
Language: English
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Summary:As zeolite become more and more important in the society, the demand of zeolite greatly increased. Thousands of theoretical zeolite structures are suggested, only a few of them come into the world. The development of zeolite is still on the process. People try to come up with various ways to categorize zeolite for the ease of research and functionality. Data mining is a process that making use of artificial intelligent to find out the hidden rule of big bunch of data. It has been widely used in every industry. In this report we are using the clustering technique in data mining to cluster the different zeolite structures into respective framework type to prove that data mining technique can be used for material clustering. One of the most useful machine learning software Weka is used for the clustering in this report. By comparing some of the algorithm and input data set, better combination has been suggested for the framework type clustering.