Showing 1–20 of 87 results
/ Date/ Name
Jan 29, 2021Strong Anharmonic and Quantum Effects in Pm-3n AlH3 Under High Pressure: A First-Principles StudyNov 20, 2014First-principles calculations of phonon frequencies, lifetimes and spectral functions from weak to strong anharmonicity: the example of palladium hydridesMar 5, 2021The Stochastic Self-Consistent Harmonic Approximation: Calculating Vibrational Properties of Materials with Full Quantum and Anharmonic EffectsJul 16, 2020Phonon collapse and van der Waals melting of the 3D charge density wave of VSe$_2$May 30, 2013First-Principles Theory of Anharmonicity and the Inverse Isotope Effect in Superconducting Palladium-Hydride CompoundsMar 1, 2011Anharmonic stabilization of the high-pressure simple cubic phase of calciumMar 12, 2021Strong correlation between bonding network and critical temperature in hydrogen-based superconductorsDec 9, 2015Quantum Hydrogen-Bond Symmetrization and High-Temperature Superconductivity in Hydrogen SulfideApr 17, 2020Weak Dimensionality Dependence and Dominant Role of Ionic Fluctuations in the Charge-Density-Wave Transition of NbSe$_2$Jul 19, 2021Quantum anharmonic enhancement of superconductivity in $P6_3/mmc$ ScH$_6$ at high pressures: a first-principles studyNov 13, 2013Anharmonic free energies and phonon dispersions from the stochastic self-consistent harmonic approximation: application to platinum and palladium hydridesFeb 4, 2025From superconductivity to non-superconductivity in LiPdH: a first principle approachJan 24, 2022Superconducting hydrides on a quantum landscapeMay 25, 2020Bending rigidity, sound propagation and ripples in flat grapheneJan 24, 2025A chemical bonding based descriptor for predicting the impact of quantum nuclear and anharmonic effects on hydrogen-based superconductorsJul 20, 2018Phonon Collapse and Second-Order Phase Transition in Thermoelectric SnSeOct 28, 2019Anharmonic melting of the charge density wave in single-layer TiSe2Sep 20, 2023On the dynamical stability of copper-doped lead apatiteSep 29, 2022Ab initio study of metastable occupation of tetrahedral sites in palladium hydrides and its impact on superconductivityMay 11, 2023Ab initio study of the structural, vibrational and optical properties of potential parent structures of nitrogen-doped lutetium hydride