ArticleACS earth & space chemistry2026
A Fully ab Initio Kinetic Monte Carlo Approach for Modeling Adsorption and Diffusion in Interstellar Icy Grain Mantles: The Case of H
Article in ACS earth & space chemistry, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Understanding diffusion on interstellar ices is key to modeling the chemical evolution of cold molecular clouds, where low temperatures severely limit molecular mobility. In this study, we introduce a robust and fully automated multiscale computational framework to quantify diffusion processes of adsorbates at the surface of amorphous solid water (ASW). Using H
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