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Jun Fujima

As seen in: Royal Society of Chemistry
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Articles by Jun Fujima

Catalysts informatics: paradigm shift towards data-driven catalyst design

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By keisuke Takahashi, Junya Ohyama, Shun Nishimura, Jun Fujima
| Royal Society of Chemistry Verified
Catalysts informatics: paradigm shift towards data-driven catalyst design Designing catalysts is a challenging matter as catalysts are involved with various factors that impact synthesis, catalysts, reactor and reaction. In order to overcome these difficulties, catalysts informatics is proposed as an alternative way to design and understand catalysts. The underlying concept of catalysts informatics is to design the catalysts from trends and patterns found in catalysts data.
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High-Throughput Screening and Literature Data Driven Machine Learning Assisting Investigation of Multi-component La2O3-based Catalysts for Oxidative Coupling of Methane

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By Shun Nishimura, Son Le, Sơn Lê, Itsuki Miyazato, Jun Fujima
| Royal Society of Chemistry Verified
High-Throughput Screening and Literature Data Driven Machine Learning Assisting Investigation of Multi-component La2O3-based Catalysts for Oxidative Coupling of Methane Multi-component La2O3-based catalysts for oxidative coupling of methane (OCM) were designed based on high-throughput screening (HTS) and literature datasets with multi-output machine learning (ML) approaches including random forest regression (RFR), support vector regression (SVR), Gaussian process regression (Bayesian), and...
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