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The data that support the findings shown in the figures are available from the corresponding author upon reasonable request.
References
Gregoryanz, E. et al. Everything you always wanted to know about metallic hydrogen but were afraid to ask. Matter Radiat. Extrem. 5, 038101 (2020).
Hinz, J. et al. Fully consistent density functional theory determination of the insulator-metal transition boundary in warm dense hydrogen. Phys. Rev. Res. 2, 032065(R) (2020).
Rillo, G., Morales, M. A., Ceperley, D. M. & Pierleoni, C. Optical properties of high-pressure fluid hydrogen across molecular dissociation. Proc. Natl Acad. Sci. 116, 9770–9774 (2019).
Lu, B., Kang, D., Wang, D., Gao, T. & Dai, J. Towards the same line of liquid–liquid phase transition of dense hydrogen from various theoretical predictions. Chin. Phys. Lett. 36, 103102 (2019).
Pierleoni, C., Morales, M. A., Rillo, G., Holzmann, M. & Ceperley, D. M. Liquid–liquid phase transition in hydrogen by coupled electron–ion Monte Carlo simulations. Proc. Natl Acad. Sci. 113, 4953–4957, (2016).
Cheng, B., Mazzola, G., Pickard, C. J. & Ceriotti, M. Evidence for supercritical behaviour of high-pressure liquid hydrogen. Nature 585, 217–220 (2020).
Perdew, J. P., Burke, K. & Ernzerhof, M. Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865–3868 (1996); erratum 78, 1396 (1997).
Baldereschi, A. Mean-value point in the Brillouin zone. Phys. Rev. B 7, 5212–5215 (1973).
Kresse, G. & Furthmüller, J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys. Rev. B 54, 11169–11186 (1996).
Kresse, G. & Joubert, D. From ultrasoft pseudopotentials to the projector augmented-wave method. Phys. Rev. B 59, 1758–1775 (1999).
Kapil, V. et al. I-PI 2.0: a universal force engine for advanced molecular simulations. Comput. Phys. Commun. 236, 214–223 (2019).
Giannozzi, P. et al. Advanced capabilities for materials modelling with quantum espresso. J. Phys. Condens. Matter 29, 465901 (2017).
Lorenzen, W., Holst, B. & Redmer, R. First-order liquid-liquid phase transition in dense hydrogen. Phys. Rev. B 82, 195107 (2010).
Zha, C. S., Liu, H., Tse, J. S. & Hemley, R. J. Melting and high P–T transitions of hydrogen up to 300 GPa. Phys. Rev. Lett. 119, 075302 (2017).
Geng, H. Y., Wu, Q., Marqúes, M. & Ackland, G. J. Thermodynamic anomalies and three distinct liquid-liquid transitions in warm dense liquid hydrogen. Phys. Rev. B 100, 134109 (2019).
Acknowledgements
This report was prepared as an account of work sponsored by an agency of the U.S. Government. Neither the U.S. Government nor any agency thereof, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark,manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the U.S. Government orany agency thereof. The views and opinions of authors expressed herein do not necessarily state or reflect those of the U.S. Government or any agency thereof. V.V.K., J.H. and S.X.H. were supported by the Department of Energy National Nuclear Security Administration Award Number DE-NA0003856 and US National Science Foundation PHY Grant No. 1802964. Partial funding for S.X.H. was provided by the NSF Physics Frontier Center Award PHY-2020249. S.B.T. was supported by Department of Energy Grant DE-SC0002139. This research used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. Part of the computations were performed on the Laboratory for Laser Energetics HPC systems.
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V.V.K. conceived the project and designed the study. V.V.K. and J.H. performed the DFT-MD simulations and postprocessed the data. V.V.K. wrote the initial manuscript with inputs from S.X.H. S.B.T. revised the conception and scope. V.V.K. and S.B.T rewrote the manuscript. All authors discussed the results and revised the paper extensively.
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Karasiev, V.V., Hinz, J., Hu, S.X. et al. On the liquid–liquid phase transition of dense hydrogen. Nature 600, E12–E14 (2021). https://doi.org/10.1038/s41586-021-04078-x
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DOI: https://doi.org/10.1038/s41586-021-04078-x
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