High-Throughput Experimentation and Catalyst Informatics for Oxidative Coupling of Methane

Thanh Nhat Nguyen, Thuy Tran Phuong Nhat, Ken Takimoto, +8

ACS Catalysis

Chemical EngineeringConsistent DatasetEngineeringMachine LearningData Science +11

Searching for Hidden Perovskite Materials for Photovoltaic Systems by Combining Data Science and First Principle Calculations

Keisuke Takahashi, Lauren Takahashi, Itsuki Miyazato, +1

ACS Photonics

EngineeringMachine LearningFirst Principle CalculationsHalide PerovskitesChemistry +16

The Rise of Catalyst Informatics: Towards Catalyst Genomics

Keisuke Takahashi, Lauren Takahashi, Itsuki Miyazato, +11

ChemCatChem

Materials ScienceFunctional GenomicsAbstract Catalysis ResearchEngineeringCatalytic Process +13

Unveiling Hidden Catalysts for the Oxidative Coupling of Methane based on Combining Machine Learning with Literature Data

Keisuke Takahashi, Itsuki Miyazato, Shun Nishimura, +1

ChemCatChem

Chemical EngineeringEngineeringMachine LearningData ScienceOcm Catalysts +10

Rapid estimation of activation energy in heterogeneous catalytic reactions via machine learning

Keisuke Takahashi, Itsuki Miyazato

Journal of Computational Chemistry

Artificial IntelligenceEngineeringMachine LearningMachine Learning ToolChemistry +18

Catalyst Acquisition by Data Science (CADS): a web-based catalyst informatics platform for discovering catalysts

Jun Fujima, Yuzuru Tanaka, Itsuki Miyazato, +2

Reaction Chemistry & Engineering

EngineeringBusiness IntelligenceIndustrial EngineeringData-driven InnovationChemistry +21

Accelerating the discovery of hidden two-dimensional magnets using machine learning and first principle calculations

Itsuki Miyazato, Yuzuru Tanaka, Keisuke Takahashi

Journal of Physics Condensed Matter

EngineeringMachine LearningLow-dimensional MagnetismMagnetic ResonanceFirst Principle Calculations +18

Redesigning the Materials and Catalysts Database Construction Process Using Ontologies

Lauren Takahashi, Itsuki Miyazato, Keisuke Takahashi

Journal of Chemical Information and Modeling

Automatic oxidation threshold recognition of XAFS data using supervised machine learning

Itsuki Miyazato, Lauren Takahashi, Keisuke Takahashi

Molecular Systems Design & Engineering

X-ray SpectroscopyMachine LearningEngineeringOxidation ResistanceChemistry +21

Direct design of active catalysts for low temperature oxidative coupling of methane <i>via</i> machine learning and data mining

Junya Ohyama, Takaaki Kinoshita, Eri Funada, +8

Catalysis Science & Technology

Direct DesignChemical EngineeringMethane CatalystsEngineeringCatalytic Material +9