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Meeting 2023 TMS Annual Meeting & Exhibition
Symposium Hume-Rothery Symposium on First-Principles Materials Design
Presentation Title The Stewardship of a Materials Genome
Author(s) Kristin Aslaug Persson
On-Site Speaker (Planned) Kristin Aslaug Persson
Abstract Scope In June 2011, President Obama announced the Materials Genome Initiative (MGI), to accelerate the discovery, design, development, and deployment of new materials, at a fraction of the cost, by harnessing the power of data and computational tools in concert with experiment. In the honor of one of the MGI visionaries, here we will survey the early inspiration for the Initiative, successes and lessons learned, focusing on the development of one of the MGI-funded programs: The Materials Project. Today, the Materials Project has evolved inoto a world-leading resource for first-principles materials data. The resource acts as an innovation multiplier for a growing community of data-rich materials research, currently supporting over 300,000 registered users with tens of millions of data records served each day through the API. Through its multi-disciplinarity team, the Materials Project is democratizing the access of accurate, first-principles materials data, a testament to the original Materials Genome Initiative.
Proceedings Inclusion? Planned:


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
Computational tools for the generation of high-dimensional phase diagrams
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 - A graph deep learning database of materials properties
Microstructure modeling with machine learning
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
Probing Local Structures, Electronic Structures and Defects in Battery Materials by Combining NMR and DFT Calculations
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

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