Predicting heterogeneous ice nucleation with a data-driven approach

Heterogenous ice nucleation is a ubiquitous phenomenon, but predicting the ice nucleation ability of a substrate is challenging. Here the authors develop a machine-learning data-driven approach to predict the ice nucleation ability of substrates, which is based on four descriptors related to physica...

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Main Authors: Martin Fitzner, Philipp Pedevilla, Angelos Michaelides
Format: article
Language:EN
Published: Nature Portfolio 2020
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Q
Online Access:https://doaj.org/article/831823056c1f4b0a8352e14baf8f5f16
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spelling oai:doaj.org-article:831823056c1f4b0a8352e14baf8f5f162021-12-02T17:27:20ZPredicting heterogeneous ice nucleation with a data-driven approach10.1038/s41467-020-18605-32041-1723https://doaj.org/article/831823056c1f4b0a8352e14baf8f5f162020-09-01T00:00:00Zhttps://doi.org/10.1038/s41467-020-18605-3https://doaj.org/toc/2041-1723Heterogenous ice nucleation is a ubiquitous phenomenon, but predicting the ice nucleation ability of a substrate is challenging. Here the authors develop a machine-learning data-driven approach to predict the ice nucleation ability of substrates, which is based on four descriptors related to physical properties of the interface.Martin FitznerPhilipp PedevillaAngelos MichaelidesNature PortfolioarticleScienceQENNature Communications, Vol 11, Iss 1, Pp 1-9 (2020)
institution DOAJ
collection DOAJ
language EN
topic Science
Q
spellingShingle Science
Q
Martin Fitzner
Philipp Pedevilla
Angelos Michaelides
Predicting heterogeneous ice nucleation with a data-driven approach
description Heterogenous ice nucleation is a ubiquitous phenomenon, but predicting the ice nucleation ability of a substrate is challenging. Here the authors develop a machine-learning data-driven approach to predict the ice nucleation ability of substrates, which is based on four descriptors related to physical properties of the interface.
format article
author Martin Fitzner
Philipp Pedevilla
Angelos Michaelides
author_facet Martin Fitzner
Philipp Pedevilla
Angelos Michaelides
author_sort Martin Fitzner
title Predicting heterogeneous ice nucleation with a data-driven approach
title_short Predicting heterogeneous ice nucleation with a data-driven approach
title_full Predicting heterogeneous ice nucleation with a data-driven approach
title_fullStr Predicting heterogeneous ice nucleation with a data-driven approach
title_full_unstemmed Predicting heterogeneous ice nucleation with a data-driven approach
title_sort predicting heterogeneous ice nucleation with a data-driven approach
publisher Nature Portfolio
publishDate 2020
url https://doaj.org/article/831823056c1f4b0a8352e14baf8f5f16
work_keys_str_mv AT martinfitzner predictingheterogeneousicenucleationwithadatadrivenapproach
AT philipppedevilla predictingheterogeneousicenucleationwithadatadrivenapproach
AT angelosmichaelides predictingheterogeneousicenucleationwithadatadrivenapproach
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