Conference Tools for 2023 TMS Annual Meeting & Exhibition

Help

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	07/17/2022
Proceedings Plan	Planned:

PRESENTATIONS APPROVED FOR THIS SYMPOSIUM INCLUDE

Advances in Natural Language Processing for Building Datasets in Materials

Available Methods for Predicting Materials Synthesizability Using Computational and Machine Learning Approaches

Computational Design of Multicomponent Nanoparticle Morphologies

Computational Discovery of Materials with Fast Oxygen Kinetics

Computational Materials Design and Discovery for Next-generation Solid-state Batteries

Design of Novel Electrode and Solid Electrolyte Materials Guided by Crystal Structure Characterization and Understanding

Disorder and Degradation in Rock-salt-type Lithium-ion Battery Cathodes

Double Descent, Linear Regression, and Fundamental Questions in Alloy Model Building

Dynamic Stability Design of Materials for Solid-state Batteries

Establishing Links between Synthesis, Defect Landscape, and Ion Conduction in Halide-type Solid Electrolytes

First Principle Design of High Entropy Materials for Energy Storage and Conversion

From Atom to System - How to Build Better Batteries

Holistic Integration of Experimental and Computational Data and Simple Empirical Models for Diffusion Coefficients of Metallic Solid Solutions

Learning Rules for High-throughput Screening of Materials Properties and Functions

Linking Phenomenological Theories of Materials to Electronic Structure

Machine Learning Assisted Materials Generation

Machine Learning for Simulating Complex Energy Materials with Non-crystalline Structures

Matterverse.ai - A Graph Deep Learning Database of Materials Properties

Millisecond-ion Transport in Mixed Polyanion in Energy Materials

New Battery Chemistry from Conventional Layered Cathode Materials for Advanced Lithium-ion Batteries

Origin of the Invar Effect

Plasmonic High-entropy Carbides

Predicting Synthesis and Synthesizability Beyond the DFT Convex Hull

Probabilistic Approach to Materials Modeling

Structure Determination – From Materials Design to Characterization

The Stewardship of a Materials Genome

Understanding Complex Materials and Interfaces through Molecular Dynamics Simulations

Understanding Key Properties of Disordered Rock-salt Li-ion Cathode Materials Based on Ab Initio Calculations and Experiments

William Hume-Rothery Award Lecture: Ab initio Thermodynamics and Kinetics from Alloys to Complex Oxides

Questions about ProgramMaster? Contact programming@programmaster.org