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High-pressure II-III phase transition in solid hydrogen: Insights from state-of-the-art ab initio calculations

Maria Hellgren, Damian Contant, Thomas Pitts, and Michele Casula

  • Sorbonne Université, MNHN, UMR CNRS 7590, IMPMC, 4 place Jussieu, 75005 Paris, France

Revisiting the broken symmetry phase of solid hydrogen: A neural network variational Monte Carlo study

Shengdu Chai, Chen Lin, Xinyang Dong, Yuqiang Li, Wanli Ouyang, Lei Wang, and X. C. Xie

Phys. Rev. B 114 225102 (2026)

Atomic forces from correlation energy functionals based on the adiabatic-connection fluctuation-dissipation theorem

Damian Contant and Maria Hellgren

Phys. Rev. B 113 125133 (2026)

Self-consistent random phase approximation and optimized hybrid functionals for solids

Thomas Pitts, Damian Contant, and Maria Hellgren

Phys. Rev. B 112 085137 (2025)

Assessing many-body methods on the potential energy surface of the (H2)2 hydrogen dimer

Damian Contant, Michele Casula, and Maria Hellgren

The Journal of Chemical Physics 161 184107 (2024)

Validation of the GreenX library time-frequency component for efficient GW and RPA calculations

Maryam Azizi, Jan Wilhelm, Dorothea Golze, Francisco A. Delesma, Ramón L. Panadés-Barrueta, Patrick Rinke, Matteo Giantomassi, and Xavier Gonze

Phys. Rev. B 109 245101 (2024)

Polymorphic transition of solid deuterium into broken symmetry phase: Application of Mayer group expansion method

E. S. Yakub

Low Temperature Physics 50 1037 (2024)

Metallization of Hydrogen Under High Pressure: Challenges and Experimental Progress

Lin Wang, Zhongyan Wu, Guoying Gao, and Yongjun Tian

Adv Funct Materials 34 2411463 (2024)

Ab-initio study of C2/c, Cmca-12, Pbcn and P6122 phases of solid hydrogen

S. Gorai, P. Modak, and Ashok K. Verma

Physica B: Condensed Matter 655 414772 (2023)

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