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Lorenzo Monacelli
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Year
Anomalous High‐Temperature Superconductivity in YH6
IA Troyan, DV Semenok, AG Kvashnin, AV Sadakov, OA Sobolevskiy, ...
Advanced Materials 33 (15), 2006832, 2021
5102021
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
4002020
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
3102021
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
1332019
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
1322018
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
982019
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
772021
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
762021
Quantum phase diagram of high-pressure hydrogen
L Monacelli, M Casula, K Nakano, S Sorella, F Mauri
Nature Physics 19 (6), 845-850, 2023
752023
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
702020
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
572021
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
532020
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
492019
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
352023
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
342021
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
342019
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
322017
First-Principles Thermodynamics of CsSnI3
L Monacelli, N Marzari
Chemistry of Materials 35 (4), 1702-1709, 2023
272023
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
232023
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
232020
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Articles 1–20