---
_id: '9671'
abstract:
- lang: eng
  text: 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.
article_number: '5757'
article_processing_charge: No
article_type: original
author:
- first_name: Bartomeu
  full_name: Monserrat, Bartomeu
  last_name: Monserrat
- first_name: Jan Gerit
  full_name: Brandenburg, Jan Gerit
  last_name: Brandenburg
- first_name: Edgar A.
  full_name: Engel, Edgar A.
  last_name: Engel
- first_name: Bingqing
  full_name: Cheng, Bingqing
  id: cbe3cda4-d82c-11eb-8dc7-8ff94289fcc9
  last_name: Cheng
  orcid: 0000-0002-3584-9632
citation:
  ama: Monserrat B, Brandenburg JG, Engel EA, Cheng B. Liquid water contains the building
    blocks of diverse ice phases. <i>Nature Communications</i>. 2020;11(1). doi:<a
    href="https://doi.org/10.1038/s41467-020-19606-y">10.1038/s41467-020-19606-y</a>
  apa: Monserrat, B., Brandenburg, J. G., Engel, E. A., &#38; Cheng, B. (2020). Liquid
    water contains the building blocks of diverse ice phases. <i>Nature Communications</i>.
    Springer Nature. <a href="https://doi.org/10.1038/s41467-020-19606-y">https://doi.org/10.1038/s41467-020-19606-y</a>
  chicago: Monserrat, Bartomeu, Jan Gerit Brandenburg, Edgar A. Engel, and Bingqing
    Cheng. “Liquid Water Contains the Building Blocks of Diverse Ice Phases.” <i>Nature
    Communications</i>. Springer Nature, 2020. <a href="https://doi.org/10.1038/s41467-020-19606-y">https://doi.org/10.1038/s41467-020-19606-y</a>.
  ieee: B. Monserrat, J. G. Brandenburg, E. A. Engel, and B. Cheng, “Liquid water
    contains the building blocks of diverse ice phases,” <i>Nature Communications</i>,
    vol. 11, no. 1. Springer Nature, 2020.
  ista: Monserrat B, Brandenburg JG, Engel EA, Cheng B. 2020. Liquid water contains
    the building blocks of diverse ice phases. Nature Communications. 11(1), 5757.
  mla: Monserrat, Bartomeu, et al. “Liquid Water Contains the Building Blocks of Diverse
    Ice Phases.” <i>Nature Communications</i>, vol. 11, no. 1, 5757, Springer Nature,
    2020, doi:<a href="https://doi.org/10.1038/s41467-020-19606-y">10.1038/s41467-020-19606-y</a>.
  short: B. Monserrat, J.G. Brandenburg, E.A. Engel, B. Cheng, Nature Communications
    11 (2020).
date_created: 2021-07-15T14:01:35Z
date_published: 2020-11-13T00:00:00Z
date_updated: 2023-02-23T14:04:25Z
day: '13'
ddc:
- '530'
- '540'
doi: 10.1038/s41467-020-19606-y
extern: '1'
file:
- access_level: open_access
  checksum: 1edd9b6d8fa791f8094d87bd6453955b
  content_type: application/pdf
  creator: asandaue
  date_created: 2021-07-15T14:05:45Z
  date_updated: 2021-07-15T14:05:45Z
  file_id: '9672'
  file_name: 2020_NatureCommunications_Monserrat.pdf
  file_size: 1385954
  relation: main_file
  success: 1
file_date_updated: 2021-07-15T14:05:45Z
has_accepted_license: '1'
intvolume: '        11'
issue: '1'
language:
- iso: eng
month: '11'
oa: 1
oa_version: Published Version
publication: Nature Communications
publication_identifier:
  eissn:
  - 2041-1723
publication_status: published
publisher: Springer Nature
quality_controlled: '1'
scopus_import: '1'
status: public
title: Liquid water contains the building blocks of diverse ice phases
tmp:
  image: /images/cc_by.png
  legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode
  name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)
  short: CC BY (4.0)
type: journal_article
user_id: 6785fbc1-c503-11eb-8a32-93094b40e1cf
volume: 11
year: '2020'
...