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About this Symposium
Meeting 2020 TMS Annual Meeting & Exhibition
Symposium Computational Discovery and Design of Emerging Materials
Sponsorship TMS Materials Processing and Manufacturing Division
TMS: Computational Materials Science and Engineering Committee
Organizer(s) Arunima K. Singh, Arizona State University
Houlong Zhuang, Arizona State University
Sugata Chowdhury, National Institute of Standards and Technology
Arun Kumar Kanakkithodi, Argonne National Laboratory
Scope Recent advancements in computational methods, computing power and materials informatics present us with an exciting opportunity to predictively discover and design materials for a variety of technologically relevant applications. In particular, quantum mechanical ab-initio methods such as density-functional theory simulations, dynamical mean-field theory, quantum Monte-Carlo simulations and time-dependent density functional theory have been pivotal in developing an atomistic-scale fundamental understanding of complex phenomena, and in the discovery and the design of several emerging materials such as – superconductors, topological insulators, magnetic materials, photocatalysts, battery materials, and most recently, quantum materials.
This symposium will cover the state-of-the art in the application as well as the integration of computational methods, particularly ab-initio simulation methods, with experiments and materials informatics applied to the discovery and design of emerging materials.
* Computational discovery and design of correlated electron materials, quantum materials, and superconductors
* Computational discovery and design of magnetic materials and topological insulators
* Application of computational methods for photocatalytic and battery materials discovery and design
* Computational discovery and design of materials for nanoelectronics
* Application of materials informatics approaches such as machine learning, genetic algorithms, and cluster expansion for an accelerated discovery and design of materials
Abstracts Due 07/01/2019
Proceedings Plan Undecided
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