| Anomalous High‐Temperature Superconductivity in YH6 IA Troyan, DV Semenok, AG Kvashnin, AV Sadakov, OA Sobolevskiy, ... Advanced Materials 33 (15), 2006832, 2021 | 510 | 2021 |
| Quantum crystal structure in the 250-kelvin superconducting lanthanum hydride I Errea, F Belli, L Monacelli, A Sanna, T Koretsune, T Tadano, R Bianco, ... Nature 578 (7793), 66-69, 2020 | 400 | 2020 |
| 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 | 310 | 2021 |
| Phonon collapse and second-order phase transition in thermoelectric SnSe U Aseginolaza, R Bianco, L Monacelli, L Paulatto, M Calandra, F Mauri, ... Physical review letters 122 (7), 075901, 2019 | 133 | 2019 |
| Pressure and stress tensor of complex anharmonic crystals within the stochastic self-consistent harmonic approximation L Monacelli, I Errea, M Calandra, F Mauri Physical Review B 98 (2), 024106, 2018 | 132 | 2018 |
| Quantum Enhancement of Charge Density Wave in NbS2 in the Two-Dimensional Limit R Bianco, I Errea, L Monacelli, M Calandra, F Mauri Nano letters 19 (5), 3098-3103, 2019 | 98 | 2019 |
| van der Waals driven anharmonic melting of the 3D charge density wave in VSe2 J Diego, AH Said, SK Mahatha, R Bianco, L Monacelli, M Calandra, ... Nature communications 12 (1), 598, 2021 | 77 | 2021 |
| Black metal hydrogen above 360 GPa driven by proton quantum fluctuations L Monacelli, I Errea, M Calandra, F Mauri Nature Physics 17 (1), 63-67, 2021 | 76 | 2021 |
| Quantum phase diagram of high-pressure hydrogen L Monacelli, M Casula, K Nakano, S Sorella, F Mauri Nature Physics 19 (6), 845-850, 2023 | 75 | 2023 |
| Weak Dimensionality Dependence and Dominant Role of Ionic Fluctuations in the Charge-Density-Wave Transition of NbSe R Bianco, L Monacelli, M Calandra, F Mauri, I Errea arXiv preprint arXiv:2004.08147, 2020 | 70 | 2020 |
| Time-dependent self-consistent harmonic approximation: Anharmonic nuclear quantum dynamics and time correlation functions L Monacelli, F Mauri Physical Review B 103 (10), 104305, 2021 | 57 | 2021 |
| Anharmonicity and Doping Melt the Charge Density Wave in Single-Layer TiSe2 JS Zhou, L Monacelli, R Bianco, I Errea, F Mauri, M Calandra Nano letters 20 (7), 4809-4815, 2020 | 53 | 2020 |
| Strong anharmonicity and high thermoelectric efficiency in high temperature SnS from first-principles U Aseginolaza, R Bianco, L Monacelli, L Paulatto, M Calandra, F Mauri, ... arXiv preprint arXiv:1906.02047, 2019 | 49 | 2019 |
| Temperature‐Dependent Anharmonic Phonons in Quantum Paraelectric KTaO3 by First Principles and Machine‐Learned Force Fields L Ranalli, C Verdi, L Monacelli, G Kresse, M Calandra, C Franchini Advanced Quantum Technologies 6 (4), 2200131, 2023 | 35 | 2023 |
| Dominant role of quantum anharmonicity in the stability and optical properties of infinite linear acetylenic carbon chains D Romanin, L Monacelli, R Bianco, I Errea, F Mauri, M Calandra The Journal of Physical Chemistry Letters 12 (42), 10339-10345, 2021 | 34 | 2021 |
| Quantum effects in muon spin spectroscopy within the stochastic self-consistent harmonic approximation IJ Onuorah, P Bonfa, R De Renzi, L Monacelli, F Mauri, M Calandra, ... arXiv preprint arXiv:1904.11913, 2019 | 34 | 2019 |
| Manipulating impulsive stimulated raman spectroscopy with a chirped probe pulse L Monacelli, G Batignani, G Fumero, C Ferrante, S Mukamel, T Scopigno The Journal of Physical Chemistry Letters 8 (5), 966-974, 2017 | 32 | 2017 |
| First-Principles Thermodynamics of CsSnI3 L Monacelli, N Marzari Chemistry of Materials 35 (4), 1702-1709, 2023 | 27 | 2023 |
| Wigner Gaussian dynamics: Simulating the anharmonic and quantum ionic motion A Siciliano, L Monacelli, G Caldarelli, F Mauri Physical Review B 107 (17), 174307, 2023 | 23 | 2023 |
| Theory of the thickness dependence of the charge density wave transition in 1 T-TiTe2 JS Zhou, R Bianco, L Monacelli, I Errea, F Mauri, M Calandra 2D Materials 7 (4), 045032, 2020 | 23 | 2020 |