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Journal of Chemical Information and Modeling
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February 22, 2024
MonteCat: A Basin-Hopping-Inspired Catalyst Descriptor Search Algorithm for Machine Learning Models
Fernando Garcia-Escobar, Toshiaki Taniike, Keisuke Takahashi
The Journal of Physical Chemistry Letters
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July 2, 2025
Uncovering Design Principles in 2D Honeycomb-Kagome Magnetic Materials through High-Throughput Calculation
Hajime Suzuki, Fernando Garcia-Escobar, Keisuke Takahashi
ACS Applied Materials & Interfaces
|
December 25, 2025
Automated Feature Engineering and Model Aggregation for Data-Driven Oxidative Coupling of Methane Catalyst Design
Fernando Garcia-Escobar, Aya Fujiwara, Toshiaki Taniike, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
October 9, 2025
Unique Phase Evolution and Multielemental Effects in Natural Rhodochrosite for Methane Oxidation
Rensuke Koiwai, Fernando Garcia-Escobar, Koki Sakamoto, et al.
Chemical Science
|
August 22, 2025
Designing and synthesizing perovskites with targeted bandgaps <i>via</i> tailored descriptors
Kenshin Shibata, Fernando Garcia-Escobar, Tomoya Tashiro, et al.
Chemical Science
|
April 30, 2026
Design rules for ternary CO<sub>2</sub> hydrogenation catalysts <i>via</i> literature-sourced network construction and analysis
Yoshiki Hasukawa, Fernando Garcia-Escobar, Shun Nishimura, et al.
The Journal of Physical Chemistry Letters
|
November 15, 2025
Compatibility Diagnosis for the Design of Oxidative Coupling of Methane Catalysts
Kei Kobayashi, Fernando Garcia-Escobar, Yoshiki Hasukawa, et al.
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Search research articles
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Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
Journal of Chemical Information and Modeling
|
February 22, 2024
MonteCat: A Basin-Hopping-Inspired Catalyst Descriptor Search Algorithm for Machine Learning Models
Fernando Garcia-Escobar, Toshiaki Taniike, Keisuke Takahashi
The Journal of Physical Chemistry Letters
|
July 2, 2025
Uncovering Design Principles in 2D Honeycomb-Kagome Magnetic Materials through High-Throughput Calculation
Hajime Suzuki, Fernando Garcia-Escobar, Keisuke Takahashi
ACS Applied Materials & Interfaces
|
December 25, 2025
Automated Feature Engineering and Model Aggregation for Data-Driven Oxidative Coupling of Methane Catalyst Design
Fernando Garcia-Escobar, Aya Fujiwara, Toshiaki Taniike, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
October 9, 2025
Unique Phase Evolution and Multielemental Effects in Natural Rhodochrosite for Methane Oxidation
Rensuke Koiwai, Fernando Garcia-Escobar, Koki Sakamoto, et al.
Chemical Science
|
August 22, 2025
Designing and synthesizing perovskites with targeted bandgaps <i>via</i> tailored descriptors
Kenshin Shibata, Fernando Garcia-Escobar, Tomoya Tashiro, et al.
Chemical Science
|
April 30, 2026
Design rules for ternary CO<sub>2</sub> hydrogenation catalysts <i>via</i> literature-sourced network construction and analysis
Yoshiki Hasukawa, Fernando Garcia-Escobar, Shun Nishimura, et al.
The Journal of Physical Chemistry Letters
|
November 15, 2025
Compatibility Diagnosis for the Design of Oxidative Coupling of Methane Catalysts
Kei Kobayashi, Fernando Garcia-Escobar, Yoshiki Hasukawa, et al.
Page
of 1