Please use this identifier to cite or link to this item: http://scholarbank.nus.edu.sg/handle/10635/137725
Title: COMPUTATIONAL DESIGN OF INORGANIC IONIC CONDUCTORS
Authors: CHEN HAOMIN
ORCID iD:   orcid.org/0000-0001-8753-7545
Keywords: software,softbv,forcefield,simulation,ion conductor, solid electrolyte
Issue Date: 17-Jul-2017
Citation: CHEN HAOMIN (2017-07-17). COMPUTATIONAL DESIGN OF INORGANIC IONIC CONDUCTORS. ScholarBank@NUS Repository.
Abstract: Computational methods are a cost-effective way to study properties of materials. In this presentation the author reviews the bond valence model and softBV forcefield, and then describes a software developed on top of them for the study of ionic conduction in solid crystalline structures. The software is used in combination with other computational methods to study a number of ionic conducting structures.
URI: http://scholarbank.nus.edu.sg/handle/10635/137725
Appears in Collections:Ph.D Theses (Restricted)

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