Chembot: A Machine Learning Approach to Selective Configuration Interaction.
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DOI: 10.1021/acs.jctc.1c00196
Abstract: We introduce a machine learning-based approach to selective configuration interaction, dubbed Chembot, that utilizes many novel choices for its model design and training. These choices include the use of a support vector machine to select… read more here.
Keywords: chembot; configuration interaction; machine learning; configuration ... See more keywords