Search Results for author: Lorenzo Monacelli

Found 2 papers, 0 papers with code

Time-Dependent Self Consistent Harmonic Approximation: Anharmonic nuclear quantum dynamics and time correlation functions

no code implementations30 Nov 2020 Lorenzo Monacelli, Francesco Mauri

We apply perturbation theory around the static SCHA solution and derive an algorithm to compute efficiently quantum dynamical response functions.

Statistical Mechanics Atomic Physics Computational Physics Quantum Physics

Quantum Crystal Structure in the 250 K Superconducting Lanthanum Hydride

no code implementations27 Jul 2019 Ion Errea, Francesco Belli, Lorenzo Monacelli, Antonio Sanna, Takashi Koretsune, Terumasa Tadano, Raffaello Bianco, Matteo Calandra, Ryotaro Arita, Francesco Mauri, José A. Flores-Livas

The relevance of quantum fluctuations in the energy landscape found here questions many of the crystal structure predictions made for hydrides within a classical approach that at the moment guide the experimental quest for room-temperature superconductivity [4, 5, 6].

Superconductivity Materials Science

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