218 citations · 235 across the 6 of their papers we have counts for
6 papers
Quadrupolar phase transition in superconducting lanthanum hydride
Abhishek Raghav, Kousuke Nakano, Marco Cherubini +2
Lanthanum hydride (LaH) has been widely studied for its high superconducting critical temperature of 250 K at about 170 GPa pressure. Although the structural -t…
Displacive quantum critical point in superconducting hydrides: The case of HS
Marco Cherubini, Abhishek Raghav, Michele Casula
HS sulfur hydride has been widely investigated for its high superconducting critical temperature of 203 K at about GPa. Despite being the precursor of superco…
Quantum effects in the H-bond symmetrization and in the thermodynamic properties of high pressure ice
Marco Cherubini, Lorenzo Monacelli, Bingjia Yang +3
We investigate the structural and thermodynamic properties of high-pressure ice by incorporating quantum anharmonicity at a non-perturbative level. Quantum fluctuations reduce the…
Quantum symmetrization transition in superconducting sulfur hydride from quantum Monte Carlo and path integral molecular dynamics
Romain Taureau, Marco Cherubini, Tommaso Morresi +1
We study the structural phase transition, originally associated with the highest superconducting critical temperature measured in high-pressure sulfur hydride. A quantitative…
The microscopic origin of anomalous properties of ice relies on the strong quantum anharmonic regime of atomic vibrations
Marco Cherubini, Lorenzo Monacelli, Francesco Mauri
Water ice is a unique material presenting intriguing physical properties, like negative thermal expansion and anomalous volume isotope effect (VIE). They arise from the interplay b…
The Stochastic Self-Consistent Harmonic Approximation: Calculating Vibrational Properties of Materials with Full Quantum and Anharmonic Effects
Lorenzo Monacelli, Raffaello Bianco, Marco Cherubini +3
The efficient and accurate calculation of how ionic quantum and thermal fluctuations impact the free energy of a crystal, its atomic structure, and phonon spectrum is one of the ma…