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Theoretical and Computational Chemistry

Working Paper

Is Domain Knowledge Necessary for Machine Learning Materials Properties?

Ryan Murdock, Steven Kauwe, Anthony Wang, Taylor Sparks

1,007

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2

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Materials Science

Working Paper

High-throughput Calculation of Atomic Planar Density for Compounds

Sterling Baird, Taylor Sparks

266

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Energy

Working Paper

The Influence of Sintering Condition on Microstructure, Phase Composition, and Electrochemical Performance of the Scandia- Ceria- Co-Doped Zirconia for SOFCs

POOYA ELAHI, Elizabeth Winterholler, Taylor Sparks

134

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Theoretical and Computational Chemistry

Working Paper

Can Machine Learning Find Extraordinary Materials?

Steven Kauwe, Jake Graser, Ryan Murdock, Taylor Sparks

1,595

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Theoretical and Computational Chemistry

Working Paper

Machine Learning for Materials Scientists: An Introductory Guide Towards Best Practices

Anthony Wang, Ryan Murdock, Steven Kauwe, Anton Oliynyk, Aleksander Gurlo, Jakoah Brgoch, Kristin Persson, Taylor Sparks

2,065

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Materials Science

Working Paper

Compactness Matters: Improving Bayesian Optimization Efficiency of Materials Formulations through Invariant Search Spaces

Sterling Baird, Jason R. Hall, Taylor D. Sparks

601

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Theoretical and Computational Chemistry

Working Paper

Compositionally-Restricted Attention-Based Network for Materials Property Prediction

Anthony Wang, Steven Kauwe, Ryan Murdock, Taylor Sparks

1,798

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Materials Science

Working Paper

DiSCoVeR: a Materials Discovery Screening Tool for High Performance, Unique Chemical Compositions

Sterling Baird, Tran Diep, Taylor Sparks

504

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Materials Science

Working Paper

Electrochemical and Degradation Studies on One-Dimensional Tunneled Sodium Zirconogallate + Yttria-Stabilized Zirconia Composite, Mixed Sodium and Oxygen Ion Conductor

POOYA ELAHI, Jude A. Horsley, Taylor D. Sparks

172

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Theoretical and Computational Chemistry

Working Paper

Extracting Knowledge from DFT: Experimental Band Gap Predictions Through Ensemble Learning

Taylor Sparks, Steven Kauwe, Taylor Welker

819

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1

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22 results in Taylor Sparks in Authors: Taylor Sparks

Is Domain Knowledge Necessary for Machine Learning Materials Properties?

High-throughput Calculation of Atomic Planar Density for Compounds

The Influence of Sintering Condition on Microstructure, Phase Composition, and Electrochemical Performance of the Scandia- Ceria- Co-Doped Zirconia for SOFCs

Can Machine Learning Find Extraordinary Materials?

Machine Learning for Materials Scientists: An Introductory Guide Towards Best Practices

Compactness Matters: Improving Bayesian Optimization Efficiency of Materials Formulations through Invariant Search Spaces

Compositionally-Restricted Attention-Based Network for Materials Property Prediction

DiSCoVeR: a Materials Discovery Screening Tool for High Performance, Unique Chemical Compositions

Electrochemical and Degradation Studies on One-Dimensional Tunneled Sodium Zirconogallate + Yttria-Stabilized Zirconia Composite, Mixed Sodium and Oxygen Ion Conductor

Extracting Knowledge from DFT: Experimental Band Gap Predictions Through Ensemble Learning

22 results in Authors: Taylor Sparks