.. CADS: Catalyst Acquisition by Data Science documentation master file, created by sphinx-quickstart on Sat Jul 14 03:43:12 2018. You can adapt this file completely to your liking, but it should at least contain the root `toctree` directive. Literature ====================================================================== 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. |br| https://doi.org/10.1039/D0RE00098A **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) |br| http://dx.doi.org/10.1088/2053-1583/aacfc1 * 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. |br| https://doi.org/10.1002/anie.201107947 * 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. |br| https://doi.org/10.1002/cctc.201100186 * Thanh Nhat Nguyen, et. al. "High-Throughput Experimentation and Catalyst Informatics for Oxidative Coupling of Methane.", ACS Catal. (2020), 10, 921−932 |br| https://doi.org/10.1021/acscatal.9b04293 * 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. |br| https://doi.org/10.1039/c2ee22341d * 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 |br| https://doi.org/10.1002/cctc.201900843 * 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 |br| https://doi.org/10.1021/acs.jpclett.9b03678 Please note that this site is still undergoing construction and will continue to undergo changes. Please check back in the future for a more complete version of this documentation. Thank you for your patience.