IRMA-International.org: Creator of Knowledge
Information Resources Management Association
Advancing the Concepts & Practices of Information Resources Management in Modern Organizations

Informatics-Based Approaches for Accelerated Discovery of Functional Materials

Informatics-Based Approaches for Accelerated Discovery of Functional Materials
View Sample PDF
Author(s): P. V. Balachandran (Los Alamos National Laboratory, USA)and J. M. Rondinelli (Northwestern University, USA)
Copyright: 2016
Pages: 32
Source title: Computational Approaches to Materials Design: Theoretical and Practical Aspects
Source Author(s)/Editor(s): Shubhabrata Datta (Calcutta Institute of Engineering and Management, India)and J. Paulo Davim (University of Aveiro, Portugal)
DOI: 10.4018/978-1-5225-0290-6.ch007

Purchase

View Informatics-Based Approaches for Accelerated Discovery of Functional Materials on the publisher's website for pricing and purchasing information.

Abstract

This chapter is aimed at readers interested in the topic of informatics-based approaches for accelerated materials discovery, but who are unfamiliar with the nuances of the underlying principles and various types of powerful mathematical tools that are involved in formulating structure–property relationships. In an attempt to simplify the workflow of materials informatics, we decompose the paradigm into several core subtasks: hypothesis generation, database construction, data pre-processing, mathematical modeling, model validation, and finally hypothesis testing. We discuss each task and provide illustrative case studies, which apply these methods to various functional ceramic materials.

Related Content

Erfan Nouri, Alireza Kardan, Vahid Mottaghitalab. © 2024. 33 pages.
Mudassar Shahzad, Noor-ul-Huda Altaf, Muhammad Ayyaz, Sehrish Maqsood, Tayyba Shoukat, Mumtaz Ali, Muhammad Yasin Naz, Shazia Shukrullah. © 2024. 31 pages.
Erfan Nouri, Alireza Kardan, Vahid Mottaghitalab. © 2024. 32 pages.
Davronjon Abduvokhidov, Zhitong Chen, Jamoliddin Razzokov. © 2024. 16 pages.
Shahid Ali. © 2024. 25 pages.
Aamir Shahzad, Rabia Waris, Muhammad Kashif, Alina Manzoor, Maogang He. © 2024. 13 pages.
Soraya Trabelsi, Ezeddine Sediki. © 2024. 23 pages.
Body Bottom