activity
20232026
most citedAssessing many-body methods on the potential energy surface of the (H) hydrogen dimer

4 citations · 7 across the 6 of their papers we have counts for

collaborators

6 papers

cond-mat.mtrl-sci2026

Negative Thermal Expansion in Cubic Ice: A Collective Quantum Effect of the hydrogen-bond network

Loan Renaud, Tomasz Poreba, Richard Gaal +3

We report neutron powder diffraction measurements and path-integral molecular dynamics simulations of stacking-disorder-free cubic ice I, produced by topotactic degassing of C2…

cond-mat.supr-con2026

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…

cond-mat.str-el2025★ 1 cited

Spin-polaron fingerprints in the optical conductivity of iridates

Francesco Cassol, Léo Gaspard, Cyril Martins +2

As a consequence of their spin-orbit entangled ground state, many iridate materials display a peculiar double peak structure in optical transport quantities, such as absor…

physics.chem-ph2024★ 4 cited

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

Damian Contant, Michele Casula, Maria Hellgren

The anisotropic potential energy surface of the (H) dimer represents a challenging problem for many-body methods. Here, we determine the potential energy curves of five dif…

cond-mat.other2024

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…

cond-mat.str-el2023★ 2 cited

The rich phase diagram of the prototypical iridate BaIrO: Effective low-energy models and metal-insulator transition

Francesco Cassol, Léo Gaspard, Michele Casula +2

In the quest of new exotic phases of matter due to the interplay of various interactions, iridates hosting a spin-orbit entangled ground state have been in t…