The 2021 room-temperature superconductivity roadmap

B Lilia, R Hennig, P Hirschfeld, G Profeta… - Journal of Physics …, 2022 - iopscience.iop.org
Designing materials with advanced functionalities is the main focus of contemporary solid-
state physics and chemistry. Research efforts worldwide are funneled into a few high-end …

[HTML][HTML] A perspective on conventional high-temperature superconductors at high pressure: Methods and materials

JA Flores-Livas, L Boeri, A Sanna, G Profeta, R Arita… - Physics Reports, 2020 - Elsevier
Two hydrogen-rich materials, H 3 S and LaH 10, synthesized at megabar pressures, have
revolutionized the field of condensed matter physics providing the first glimpse to the …

Semimetallic molecular hydrogen at pressure above 350 GPa

MI Eremets, AP Drozdov, PP Kong, H Wang - Nature Physics, 2019 - nature.com
According to theoretical predictions, insulating molecular hydrogen dissociates and
transforms into an atomic metal at pressures P≈ 370–500 GPa (refs.,–). In another scenario …

[HTML][HTML] Toward first principles-based simulations of dense hydrogen

M Bonitz, J Vorberger, M Bethkenhagen… - Physics of …, 2024 - pubs.aip.org
Accurate knowledge of the properties of hydrogen at high compression is crucial for
astrophysics (eg, planetary and stellar interiors, brown dwarfs, atmosphere of compact stars) …

Black metal hydrogen above 360 GPa driven by proton quantum fluctuations

L Monacelli, I Errea, M Calandra, F Mauri - Nature Physics, 2021 - nature.com
Hydrogen metallization under stable conditions is a substantial step towards the realization
of the first room-temperature superconductor. Recent low-temperature experiments,–report …

Thermal dependence of the hydrated proton and optimal proton transfer in the protonated water hexamer

F Mouhat, M Peria, T Morresi, R Vuilleumier… - Nature …, 2023 - nature.com
Water is a key ingredient for life and plays a central role as solvent in many biochemical
reactions. However, the intrinsically quantum nature of the hydrogen nucleus, revealing itself …

Reactive molecular dynamics simulation of thermal decomposition for nano-aluminized explosives

Z Mei, Q An, FQ Zhao, SY Xu, XH Ju - Physical Chemistry Chemical …, 2018 - pubs.rsc.org
Aluminized explosives have important applications in civil construction and military
armaments, but their thermal decomposition mechanisms are not well characterized. Here …

First principles simulations of dense hydrogen

M Bonitz, J Vorberger, M Bethkenhagen… - arxiv preprint arxiv …, 2024 - arxiv.org
Accurate knowledge of the properties of hydrogen at high compression is crucial for
astrophysics (eg planetary and stellar interiors, brown dwarfs, atmosphere of compact stars) …

Energy gap closure of crystalline molecular hydrogen with pressure

V Gorelov, M Holzmann, DM Ceperley, C Pierleoni - Physical review letters, 2020 - APS
We study the gap closure with pressure of crystalline molecular hydrogen. The gaps are
obtained from grand-canonical quantum Monte Carlo methods properly extended to …

[HTML][HTML] Ab initio molecular dynamics on quantum computers

DA Fedorov, MJ Otten, SK Gray… - The Journal of Chemical …, 2021 - pubs.aip.org
Ab initio molecular dynamics (AIMD) is a valuable technique for studying molecules and
materials at finite temperatures where the nuclei evolve on potential energy surfaces …