Research, articles, databases, and other related documents that use this platform are listed here. Additionally, databases that are available for public use on the platform will also be cited here.

Research, Articles, and other Related Documents

  • Jun Fujima, Yuzuru Tanaka, Itsuki Miyazato, Lauren Takahashi, and Keisuke Takahashi “Catalyst Acquisition by Data Science (CADS): a web-based catalyst informatics platform for discovering catalysts”, React. Chem. Eng. (2020), 5 (5), 903-911.

Databases Included within the Platform

  • Sten Haastrup, Mikkel Strange, Mohnish Pandey, Thorsten Deilmann, Per S. Schmidt, Nicki F. Hinsche, Morten N. Gjerding, Daniele Torelli, Peter M. Larsen, Anders C. Riis-Jensen, Jakob Gath, Karsten W. Jacobsen, Jens Jørgen Mortensen, Thomas Olsen, Kristian S. Thygesen, “The Computational 2D Materials Database: high-throughput modeling and discovery of atomically thin crystals”, 2D Materials 5, 042002 (2018)

  • Dr. Jens S. Hummelshøj, Dr. Frank Abild-Pedersen, Dr. Felix Studt, Dr. Thomas Bligaard and Prof. Jens K. Nørskov, “CatApp: A Web Application for Surface Chemistry and Heterogeneous Catalysis”, Angew. Chem. Int. Ed. (2012) 51, 72-274.

  • Zavyalova, Ulyana, et al. “Statistical analysis of past catalytic data on oxidative methane coupling for new insights into the composition of high‐performance catalysts.” ChemCatChem 3.12 (2011), 1935-1947.

  • Thanh Nhat Nguyen, et. al. “High-Throughput Experimentation and Catalyst Informatics for Oxidative Coupling of Methane.”, ACS Catal. (2020), 10, 921−932

  • Castelli, I. E., Landis, D. D., Thygesen, K. S., Dahl, S., Chorkendorff, I., Jaramillo, T. F., and Jacobsen, K. W. “New cubic perovskites for one- and two-photon water splitting using the computational materials repository”, Energy Environ. Sci. (2012) 5 (10), 9034-9043.

  • Junya Ohyama, Shun Nishimura, Keisuke Takahashi “Data Driven Determination of Reaction Conditions in Oxidative Coupling of Methane via Machine Learning” ChemCatChem (2019) 11 (17), 4307-4313

  • Itsuki Miyazato, Shun NIshimura, Lauren Takahashi, Junya Ohyama, Keisuke Takahashi “Data-Driven Identification of the Reaction Network in Oxidative Coupling of the Methane Reaction via Experimental Data” The Journal of Physical Chemistry Letters (2020) 11, 787-795

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