Subject: Chemistry
Subject: Materials Science and Engineering
Keyword Term: Fuzzy Classification
Keyword Term: Equivalent Atoms
Author Name: Lai, King Chun
Keyword Term: Machine Learning
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Jun 27, 2023
Lai, King Chun; Matera, Sebastian; Scheurer, Christoph; Reuter, Karsten, 2023, "DECAF — A Fuzzy Classification Framework to Identify Equivalent Atoms in Complex Materials and Molecules", https://doi.org/10.17617/3.U7VKBM, Edmond, V1
This data set contains implementation code and examples for the methodology described in the research article with the title "A Fuzzy Classification Framework to Identify Equivalent Atoms in Complex Materials and Molecules". The article is accepted by The Journal of Chemical Phys... |