ArticleNature communications2020
Liquid water contains the building blocks of diverse ice phases.
Article in Nature communications, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 15 papers.
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Who cites it
15 citing papers in PubMed.
- Systematic trends in water properties across Jacob's ladder density functionals.Digital discovery · 2026Article
- Unravelling Water Anomalies Using a Percolation Approach.ACS omega · 2026Article
- Multiple freezing-melting pathways of high-density ice through ice XXI phase at room temperature.Nature materials · 2026Article
- An automated framework for exploring and learning potential-energy surfaces.Nature communications · 2025Article
- Relevant, Hidden, and Frustrated Information in High-Dimensional Analyses of Complex Dynamical Systems with Internal Noise.Journal of chemical theory and computation · 2025Article
- Classification and spatiotemporal correlation of dominant fluctuations in complex dynamical systems.PNAS nexus · 2025Article
- Direct simulation and machine learning structure identification unravel soft martensitic transformation and twinning dynamics.Proceedings of the National Academy of Sciences of the United States of America · 2024Article
- Layer-by-layer unsupervised clustering of statistically relevant fluctuations in noisy time-series data of complex dynamical systems.Proceedings of the National Academy of Sciences of the United States of America · 2024Article
- The heterogeneity of aqueous solutions: the current situation in the context of experiment and theory.Frontiers in chemistry · 2024Review
- Detecting dynamic domains and local fluctuations in complex molecular systems via timelapse neighbors shuffling.Proceedings of the National Academy of Sciences of the United States of America · 2023Article
- Are Neural Network Potentials Trained on Liquid States Transferable to Crystal Nucleation? A Test on Ice Nucleation in the mW Water Model.The journal of physical chemistry. B · 2023Article
- Classifying soft self-assembled materials via unsupervised machine learning of defects.Communications chemistry · 2022Article
- A complete description of thermodynamic stabilities of molecular crystals.Proceedings of the National Academy of Sciences of the United States of America · 2022Article
- A Data-Driven Dimensionality Reduction Approach to Compare and Classify Lipid Force Fields.The journal of physical chemistry. B · 2021Article
- Quantum-mechanical exploration of the phase diagram of water.Nature communications · 2021Article
Corrections and comments
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Authors and funding
4 authors.
Funding
Abstract
Water molecules can arrange into a liquid with complex hydrogen-bond networks and at least 17 experimentally confirmed ice phases with enormous structural diversity. It remains a puzzle how or whether this multitude of arrangements in different phases of water are related. Here we investigate the structural similarities between liquid water and a comprehensive set of 54 ice phases in simulations, by directly comparing their local environments using general atomic descriptors, and also by demonstrating that a machine-learning potential trained on liquid water alone can predict the densities, lattice energies, and vibrational properties of the ices. The finding that the local environments characterising the different ice phases are found in water sheds light on the phase behavior of water, and rationalizes the transferability of water models between different phases.
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Registered trials
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