Opendata, web and dolomites


Probing the Structure and Dynamics of Water in its Various States

Total Cost €


EC-Contrib. €






Project "WATER" data sheet

The following table provides information about the project.


Organization address
postcode: 10691

contact info
title: n.a.
name: n.a.
surname: n.a.
function: n.a.
email: n.a.
telephone: n.a.
fax: n.a.

 Coordinator Country Sweden [SE]
 Project website
 Total cost 2˙486˙951 €
 EC max contribution 2˙486˙951 € (100%)
 Programme 1. H2020-EU.1.1. (EXCELLENT SCIENCE - European Research Council (ERC))
 Code Call ERC-2014-ADG
 Funding Scheme ERC-ADG
 Starting year 2015
 Duration (year-month-day) from 2015-09-01   to  2020-08-31


Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 
1    STOCKHOLMS UNIVERSITET SE (STOCKHOLM) coordinator 2˙486˙951.00


 Project objective

We propose to address some of the most important outstanding questions for a microscopic understanding of water: What is the structure and dynamics of the hydrogen-bonding network that give rise to all the unique properties of water? How is the structure and dynamics affected by temperature, pressure and by perturbation through interaction with solutes and interfaces? Here we point to the opportunity to exploit the completely new avenues that the novel x-ray free-electron lasers open up for probing both structure and dynamics of water from hot temperatures down to the deeply supercooled regime where the anomalous properties become extreme. We plan to further develop fast cooling and ultrafast x-ray probing allowing access to below the homogeneous ice nucleation limit, to probe equilibrium dynamics through probe-probe techniques based on x-ray correlation spectroscopy, to access low-energy vibrational mode dynamics through THz pump and x-ray scattering probe and to transfer x-ray spectroscopies into the time domain. We will address one of the currently most debated issues related to a potential liquid-liquid transition and 2nd critical point in liquid water. The goal is to determine experimentally if water, as hypothesized in certain models, can really exist as two liquids, if there is reversible phase transition between the hypothesized liquids, evaluate if these hypothesized liquids can equilibrate on a time scale faster then the rate of ice nucleation and if there exists a critical point that can explain the fluctuations related to the diverging response functions. We will continue to critically investigate our proposed hypothesis that water at ambient temperature encompasses fluctuations around two local structures and that the dominating structure is a strongly distorted hydrogen bonded environment. We will investigate if these concepts can be used to describe the observed perturbations of water structure by solutes and interfaces.


year authors and title journal last update
List of publications.
2017 Kyung Hwan Kim, Alexander Späh, Harshad Pathak, Fivos Perakis, Daniel Mariedahl, Katrin Amann-Winkel, Jonas A. Sellberg, Jae Hyuk Lee, Sangsoo Kim, Jaehyun Park, Ki Hyun Nam, Tetsuo Katayama, Anders Nilsson
Maxima in the thermodynamic response and correlation functions of deeply supercooled water
published pages: 1589-1593, ISSN: 0036-8075, DOI: 10.1126/science.aap8269
Science 358/6370 2020-01-15
2017 Kyung Hwan Kim, Harshad Pathak, Alexander Späh, Fivos Perakis, Daniel Mariedahl, Jonas A. Sellberg, Tetsuo Katayama, Yoshihisa Harada, Hirohito Ogasawara, Lars G. M. Pettersson, Anders Nilsson
Temperature-Independent Nuclear Quantum Effects on the Structure of Water
published pages: , ISSN: 0031-9007, DOI: 10.1103/PhysRevLett.119.075502
Physical Review Letters 119/7 2020-01-15
2016 Daniel Schlesinger, K. Thor Wikfeldt, Lawrie B. Skinner, Chris J. Benmore, Anders Nilsson, Lars G. M. Pettersson
The temperature dependence of intermediate range oxygen-oxygen correlations in liquid water
published pages: 84503, ISSN: 0021-9606, DOI: 10.1063/1.4961404
The Journal of Chemical Physics 145/8 2020-01-15
2016 H. Pathak, J. C. Palmer, D. Schlesinger, K. T. Wikfeldt, J. A. Sellberg, L. G. M. Pettersson, A. Nilsson
The structural validity of various thermodynamical models of supercooled water
published pages: 134507, ISSN: 0021-9606, DOI: 10.1063/1.4963913
The Journal of Chemical Physics 145/13 2020-01-15
2017 Fivos Perakis, Katrin Amann-Winkel, Felix Lehmkühler, Michael Sprung, Daniel Mariedahl, Jonas A. Sellberg, Harshad Pathak, Alexander Späh, Filippo Cavalca, Daniel Schlesinger, Alessandro Ricci, Avni Jain, Bernhard Massani, Flora Aubree, Chris J. Benmore, Thomas Loerting, Gerhard Grübel, Lars G. M. Pettersson, Anders Nilsson
Diffusive dynamics during the high-to-low density transition in amorphous ice
published pages: 8193-8198, ISSN: 0027-8424, DOI: 10.1073/pnas.1705303114
Proceedings of the National Academy of Sciences 114/31 2020-01-15
2018 Fivos Perakis, Gaia Camisasca, Thomas J. Lane, Alexander Späh, Kjartan Thor Wikfeldt, Jonas A. Sellberg, Felix Lehmkühler, Harshad Pathak, Kyung Hwan Kim, Katrin Amann-Winkel, Simon Schreck, Sanghoon Song, Takahiro Sato, Marcin Sikorski, Andre Eilert, Trevor McQueen, Hirohito Ogasawara, Dennis Nordlund, Wojciech Roseker, Jake Koralek, Silke Nelson, Philip Hart, Roberto Alonso-Mori, Yiping Feng, Diling Zhu, Aymeric Robert, Gerhard Grübel, Lars G. M. Pettersson, Anders Nilsson
Coherent X-rays reveal the influence of cage effects on ultrafast water dynamics
published pages: , ISSN: 2041-1723, DOI: 10.1038/s41467-018-04330-5
Nature Communications 9/1 2020-01-15

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