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Theoretical and Computational Chemistry

Working Paper

Multi-fidelity Sequential Learning for Accelerated Materials Discovery

Aini Palizhati, Muratahan Aykol, Santosh Suram, Jens Strabo Hummelshøj, Joseph H. Montoya

490

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1

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Inorganic Chemistry

Working Paper

Autonomous Intelligent Agents for Accelerated Materials Discovery

Joseph H. Montoya, Kirsten Winther, Raul A. Flores, Thomas Bligaard, Jens Strabo Hummelshøj, Muratahan Aykol

847

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Theoretical and Computational Chemistry

Working Paper

Random Forest Machine Learning Models for Interpretable X-Ray Absorption Near-Edge Structure Spectrum-Property Relationships

Steven Torrisi, Matthew Carbone, Brian Rohr, Joseph H. Montoya, Yang Ha, Junko Yano, Santosh Suram, Linda Hung

719

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Catalysis

Working Paper

Active Learning Accelerated Discovery of Stable Iridium-oxide Polymorphs for the Oxygen Evolution Reaction

Raul Flores, Christopher Paolucci, Kirsten Winther, Ankit Jain, Jose Antonio Garrido Torres, Muratahan Aykol, Joseph H. Montoya, Jens Kehlet Nørskov, Michal Bajdich, Thomas Bligaard

1,141

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Theoretical and Computational Chemistry

Working Paper

Rational Solid-State Synthesis Routes for Inorganic Materials

Muratahan Aykol, Joseph H. Montoya, Jens Strabo Hummelshøj

1,350

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Theoretical and Computational Chemistry

Working Paper

Predicting Aqueous Stability of Solid with Computed Pourbaix Diagram using SCAN Functional

Zhenbin Wang, Xingyu Guo, Joseph H. Montoya, Jens Kehlet Nørskov

349

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Catalysis

Working Paper

Origins of the Instability of Non-precious HER Catalysts at Open Circuit Potential

Zhenbin Wang, Ya-Rong Zheng, Joseph H. Montoya, Degenhart Hochfilzer, Ang Cao, Jakob Kibsgaard, Ib Chorkendorff, Jens Kehlet Nørskov

554

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Materials Chemistry

Working Paper

Computer-assisted discovery and rational synthesis of ternary oxides

Joseph Montoya, Carolyn Grimley, Muratahan Aykol, Colin Ophus, Hadas Sternlicht, Benjamin H. Savitzky, Andrew M. Minor, Steven Torrisi, Jackson Goedjen, Ching-Chang Chung, Andrew Comstock, Shijing Sun

446

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8 results in Joseph H. Montoya in Authors: Joseph H. Montoya

Multi-fidelity Sequential Learning for Accelerated Materials Discovery

Autonomous Intelligent Agents for Accelerated Materials Discovery

Random Forest Machine Learning Models for Interpretable X-Ray Absorption Near-Edge Structure Spectrum-Property Relationships

Active Learning Accelerated Discovery of Stable Iridium-oxide Polymorphs for the Oxygen Evolution Reaction

Rational Solid-State Synthesis Routes for Inorganic Materials

Predicting Aqueous Stability of Solid with Computed Pourbaix Diagram using SCAN Functional

Origins of the Instability of Non-precious HER Catalysts at Open Circuit Potential

Computer-assisted discovery and rational synthesis of ternary oxides

8 results in Authors: Joseph H. Montoya