Output of ab initio molecular dynamics simulations of water at non-ambient pressure and temperature using the CP2K code
| Dataset title | Output of ab initio molecular dynamics simulations of water at non-ambient pressure and temperature using the CP2K code |
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| Dataset creators | Sarah J. Fowler, University of Bristol David M. Sherman, University of Bristol John P. Brodholt, University College London Oliver T. Lord, University of Bristol |
| Dataset discovery metadata record | Discovery Link to the dataset's BGS Discovery Metadata record |
| Dataset publisher | NERC EDS National Geoscience Data Centre |
| Dataset publication date | 26/08/2026 |
| Dataset citation text | Fowler, S. J., Sherman, D. M., Brodholt, J. P., Lord, O. T. (2026). Output of ab initio molecular dynamics simulations of water at non-ambient pressure and temperature using the CP2K code. NERC EDS National Geoscience Data Centre. (Dataset). https://doi.org/10.5285/40977faa-724e-4988-a911-89f62c8f040f |
| Access the dataset | https://webapps.bgs.ac.uk/services/ngdc/accessions/index.html#item193189 |