{"publication_identifier":{"issn":["0028-0836"],"eissn":["1476-4687"]},"type":"journal_article","extern":"1","volume":585,"date_updated":"2021-08-09T12:38:01Z","abstract":[{"lang":"eng","text":"Hydrogen, the simplest and most abundant element in the Universe, develops a remarkably complex behaviour upon compression^1. Since Wigner predicted the dissociation and metallization of solid hydrogen at megabar pressures almost a century ago^2, several efforts have been made to explain the many unusual properties of dense hydrogen, including a rich and poorly understood solid polymorphism^1,3-5, an anomalous melting line6 and the possible transition to a superconducting state^7. Experiments at such extreme conditions are challenging and often lead to hard-to-interpret and controversial observations, whereas theoretical investigations are constrained by the huge computational cost of sufficiently accurate quantum mechanical calculations. Here we present a theoretical study of the phase diagram of dense hydrogen that uses machine learning to 'learn' potential-energy surfaces and interatomic forces from reference calculations and then predict them at low computational cost, overcoming length- and timescale limitations. We reproduce both the re-entrant melting behaviour and the polymorphism of the solid phase. Simulations using our machine-learning-based potentials provide evidence for a continuous molecular-to-atomic transition in the liquid, with no first-order transition observed above the melting line. This suggests a smooth transition between insulating and metallic layers in giant gas planets, and reconciles existing discrepancies between experiments as a manifestation of supercritical behaviour."}],"publication_status":"published","publication":"Nature","author":[{"orcid":"0000-0002-3584-9632","full_name":"Cheng, Bingqing","first_name":"Bingqing","id":"cbe3cda4-d82c-11eb-8dc7-8ff94289fcc9","last_name":"Cheng"},{"last_name":"Mazzola","first_name":"Guglielmo","full_name":"Mazzola, Guglielmo"},{"first_name":"Chris J.","full_name":"Pickard, Chris J.","last_name":"Pickard"},{"full_name":"Ceriotti, Michele","first_name":"Michele","last_name":"Ceriotti"}],"doi":"10.1038/s41586-020-2677-y","_id":"9685","date_created":"2021-07-19T09:17:49Z","month":"09","citation":{"ama":"Cheng B, Mazzola G, Pickard CJ, Ceriotti M. Evidence for supercritical behaviour of high-pressure liquid hydrogen. <i>Nature</i>. 2020;585(7824):217-220. doi:<a href=\"https://doi.org/10.1038/s41586-020-2677-y\">10.1038/s41586-020-2677-y</a>","mla":"Cheng, Bingqing, et al. “Evidence for Supercritical Behaviour of High-Pressure Liquid Hydrogen.” <i>Nature</i>, vol. 585, no. 7824, Springer Nature, 2020, pp. 217–20, doi:<a href=\"https://doi.org/10.1038/s41586-020-2677-y\">10.1038/s41586-020-2677-y</a>.","short":"B. Cheng, G. Mazzola, C.J. Pickard, M. Ceriotti, Nature 585 (2020) 217–220.","ieee":"B. Cheng, G. Mazzola, C. J. Pickard, and M. Ceriotti, “Evidence for supercritical behaviour of high-pressure liquid hydrogen,” <i>Nature</i>, vol. 585, no. 7824. Springer Nature, pp. 217–220, 2020.","chicago":"Cheng, Bingqing, Guglielmo Mazzola, Chris J. Pickard, and Michele Ceriotti. “Evidence for Supercritical Behaviour of High-Pressure Liquid Hydrogen.” <i>Nature</i>. Springer Nature, 2020. <a href=\"https://doi.org/10.1038/s41586-020-2677-y\">https://doi.org/10.1038/s41586-020-2677-y</a>.","ista":"Cheng B, Mazzola G, Pickard CJ, Ceriotti M. 2020. Evidence for supercritical behaviour of high-pressure liquid hydrogen. Nature. 585(7824), 217–220.","apa":"Cheng, B., Mazzola, G., Pickard, C. J., &#38; Ceriotti, M. (2020). Evidence for supercritical behaviour of high-pressure liquid hydrogen. <i>Nature</i>. Springer Nature. <a href=\"https://doi.org/10.1038/s41586-020-2677-y\">https://doi.org/10.1038/s41586-020-2677-y</a>"},"article_processing_charge":"No","oa":1,"user_id":"6785fbc1-c503-11eb-8a32-93094b40e1cf","external_id":{"pmid":["32908269"],"arxiv":["1906.03341"]},"page":"217-220","status":"public","language":[{"iso":"eng"}],"intvolume":"       585","oa_version":"Preprint","issue":"7824","title":"Evidence for supercritical behaviour of high-pressure liquid hydrogen","scopus_import":"1","quality_controlled":"1","main_file_link":[{"url":"https://arxiv.org/abs/1906.03341","open_access":"1"}],"pmid":1,"date_published":"2020-09-10T00:00:00Z","day":"10","year":"2020","publisher":"Springer Nature","article_type":"original"}