computational discovery and design of emerging materials · 2019-06-03 · computational discovery...

February 23-27, 2020 • San Diego, California, USA Abstract Deadline is July 1, 2019. Submit online at www.programmaster.org/TMS2020. SUBMIT AN ABSTRACT BY JULY 1 Submit an abstract to: Questions? Contact [email protected] Materials Design Computational Discovery and Design of Emerging Materials 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. Topics include: • 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 ORGANIZERS Arunima Singh, Arizona State University, USA Houlong Zhuang, Arizona State University, USA Sugata Chowdhury, National Institute of Standards and Technology, USA Arun Kumar Kanakkithodi, Argonne National Laboratory, USA SYMPOSIUM SPONSORS TMS Materials Processing & Manufacturing Division TMS Computational Materials Science and Engineering Committee

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Page 1: Computational Discovery and Design of Emerging Materials · 2019-06-03 · Computational Discovery and Design of Emerging Materials Recent advancements in computational methods, computing

February 23-27, 2020 • San Diego, California, USA

Abstract Deadline is July 1, 2019. Submit online at www.programmaster.org/TMS2020.

SUBMIT AN ABSTRACT BY JULY 1

Submit an abstract to:

Questions? Contact [email protected]

Materials Design

Computational Discovery and Design of Emerging MaterialsRecent 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.

Topics include: • 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

ORGANIZERSArunima Singh, Arizona State University, USAHoulong Zhuang, Arizona State University, USASugata Chowdhury, National Institute of Standards and Technology, USAArun Kumar Kanakkithodi, Argonne National Laboratory, USA

SYMPOSIUM SPONSORSTMS Materials Processing & Manufacturing DivisionTMS Computational Materials Science and Engineering Committee

mailto:[email protected]

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