The stochastic self-consistent harmonic approximation: calculating vibrational properties of materials with full quantum and anharmonic effects L Monacelli, R Bianco, M Cherubini, M Calandra, I Errea, F Mauri Journal of Physics: Condensed Matter 33 (36), 363001, 2021 | 189 | 2021 |
The microscopic origin of the anomalous isotopic properties of ice relies on the strong quantum anharmonic regime of atomic vibration M Cherubini, L Monacelli, F Mauri The Journal of Chemical Physics 155 (18), 2021 | 15 | 2021 |
Quantum effects in H-bond symmetrization and in thermodynamic properties of high pressure ice M Cherubini, L Monacelli, B Yang, R Car, M Casula, F Mauri Physical Review B 110 (1), 014112, 2024 | 3 | 2024 |
Quantum symmetrization transition in superconducting sulfur hydride from quantum Monte Carlo and path integral molecular dynamics R Taureau, M Cherubini, T Morresi, M Casula npj Computational Materials 10 (1), 56, 2024 | 1 | 2024 |
Phase diagram, structure and spectroscopy of ordinary and high pressure ice: Impact of quantum anharmonic nuclear motion M Cherubini Università degli Studi di Roma" La Sapienza", 2022 | 1 | 2022 |