What is it about?
The mineral surfaces of interstellar bodies, such as interstellar dust or cometary and meteoritic seeds, and their role in the formation of important biomolecules, are barely understood. In this study, we present a pipeline to model realistic mineral interfaces to serve as the foundation to investigate how the seeds of life may have arisen in the interstellar medium.
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Why is it important?
The computational chemistry field has been missing a tool to generate, in a black-box fashion, suitable structures to investigate the role of minerals for a myriad of reactions, from energy conversion to the synthesis of chemical feedstocks and prebiotic molecules.
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This page is a summary of: Unlocking the surface chemistry of ionic minerals: a high-throughput pipeline for modeling realistic interfaces, Journal of Applied Crystallography, March 2024, International Union of Crystallography,
DOI: 10.1107/s1600576724001286.
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