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RESEARCH PAPER · Journal of Chemical Information and Modeling · 2024

MonteCat: A Basin-Hopping-Inspired Catalyst Descriptor Search Algorithm for Machine Learning Models

Fernando Garcia‐Escobar, Toshiaki Taniike, KEISUKE G. TAKAHASHI

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6 direct citing papers in this saved network. Explore the next layer with second-order citations.

Open in your workspace →Saved 2026-10-14 · complete coverage
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MonteCat: A Basin-Hopping-Inspired Catalyst Descriptor Search Algorithm for Machine Learning ModelsOriginalDesign of low temperature La 2 O 3 oxidative coupling of methane catalysts using feature engineering and automated sampling4Web-based graphical user interface for automated materials feature engineering for machine learning0Designing and synthesizing perovskites with targeted bandgaps via tailored descriptors5A Review of Global Optimization Methods for Molecular Structures: Algorithms, Applications and Perspectives9Automated Feature Engineering and Model Aggregation for Data-Driven Oxidative Coupling of Methane Catalyst Design1Descriptor Identification and Synthesis of Bimetallic Catalysts for CO2 Methanation2

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  1. Design of low temperature La 2 O 3 oxidative coupling of methane catalysts using feature engineering and automated sampling

    Catalysis Science & Technology · 2024-11-25

    Fernando Garcia-Escobar, Lauren Takahashi, Ali Shaaban, Shun Nishimura, KEISUKE G. TAKAHASHI

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  2. Web-based graphical user interface for automated materials feature engineering for machine learning

    Science and Technology of Advanced Materials Methods · 2024-12-16

    Yoshiki Hasukawa, Micke Kuwahara, Fernando Garcia‐Escobar, Lauren Takahashi, Toshiaki Taniike, KEISUKE G. TAKAHASHI

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  3. Designing and synthesizing perovskites with targeted bandgaps via tailored descriptors

    Chemical Science · 2025-01-01

    Kazuhiko Shibata, Fernando Garcia‐Escobar, Tomoya Tashiro, Lauren Takahashi, KEISUKE G. TAKAHASHI

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  4. A Review of Global Optimization Methods for Molecular Structures: Algorithms, Applications and Perspectives

    Journal of Computational Chemistry · 2025-10-20

    Jorge Alberto Sanchez Alvarez, Patrizia Calaminici

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  5. Automated Feature Engineering and Model Aggregation for Data-Driven Oxidative Coupling of Methane Catalyst Design

    ACS Applied Materials & Interfaces · 2025-12-25

    Fernando Garcia‐Escobar, Aya Fujiwara, Toshiaki Taniike, KEISUKE G. TAKAHASHI

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  6. Descriptor Identification and Synthesis of Bimetallic Catalysts for CO2 Methanation

    ACS Catalysis · 2026-01-31

    Yoshiki Hasukawa, Fernando Garcia‐Escobar, Shun Nishimura, Lauren Takahashi, KEISUKE G. TAKAHASHI

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