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About this Symposium
Meeting 2023 TMS Annual Meeting & Exhibition
Symposium Hume-Rothery Symposium on First-Principles Materials Design
Sponsorship TMS Functional Materials Division
TMS Structural Materials Division
TMS: Alloy Phases Committee
Organizer(s) Bin Ouyang, Florida State University
Mark D. Asta, University of California, Berkeley
Geoffroy Hautier, Dartmouth College
Wei Xiong, University of Pittsburgh
Anton Van der Ven, University of California, Santa Barbara
Scope This symposium will bring together experts in the application of first principles calculations of complex and functional materials, to assess the current state of the art in their application to ab-initio and data-driven materials discovery and design. Topics will cover but not limited to high throughput materials discovery, first principles-based phase diagram constructions, thermodynamic and kinetic properties of multi-component materials, and the use of ab-initio methods to understand the synthesis of materials. It will survey recent progress in method and theory developments that are driven by the materials genome initiatives, with a particular emphasis on development of computational and machine-learning methods and autonomous experimentation to guide materials synthesis, characterization, and new functionality.

Sessions will include talks by experts in computational methods and applications, as well as experimenting working at the forefront of data-driven synthesis and characterization.

The session is by invitation only.

Abstracts Due 07/01/2022
Proceedings Plan Undecided
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