218 citations · 235 across the 6 of their papers we have counts for
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physics.chem-ph2021★ 17 cited
The microscopic origin of anomalous properties of ice relies on the strong quantum anharmonic regime of atomic vibrations
Marco Cherubini, Lorenzo Monacelli, Francesco Mauri
Water ice is a unique material presenting intriguing physical properties, like negative thermal expansion and anomalous volume isotope effect (VIE). They arise from the interplay b…
cond-mat.mtrl-sci2021★ 218 cited
The Stochastic Self-Consistent Harmonic Approximation: Calculating Vibrational Properties of Materials with Full Quantum and Anharmonic Effects
Lorenzo Monacelli, Raffaello Bianco, Marco Cherubini +3
The efficient and accurate calculation of how ionic quantum and thermal fluctuations impact the free energy of a crystal, its atomic structure, and phonon spectrum is one of the ma…