Abstract
<p indent="0mm">“Big data + inorganic chemistry”, an emerging scientific discipline, creates new and important tools to futurize computational materials science. Leveraging this idea, Atomly is founded as a world-class inorganic materials database that is developed and based in China. This article presents the engineering details, demonstrates viable applications of the Atomly database, and primarily introduces the new tools and methodologies that are advancing the field of chemical syntheses, such as thermodynamic stability estimation, reaction path evaluation, artificial intelligence-guided property prediction, and big-data analysis. We hope that the Atomly database and innovative techniques can serve as useful tools to advance chemical science.
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