MITOLI, DAVIDE
MITOLI, DAVIDE
CHIMICA
Anharmonic Terms of the Potential Energy Surface: A Group Theoretical Approach
2023-01-01 Mitoli D.; Maul J.; Erba A.
Anharmonic Vibrational States of Double-Well Potentials in the Solid State from DFT Calculations
2025-01-01 Mitoli D.; Petrov M.; Maul J.; Stoll W.B.; Ruggiero M.T.; Erba A.
Anharmonicity in Lattice Dynamics and Vibrational Spectroscopies: Development of Algorithms in the Crystal Code
2025-12-01
Anharmonicity in Molecular Crystals: Generalized Perturbation Theory Meets Periodic Computations
2025-01-01 Mitoli D.; Erba A.; Barone V.; Mendolicchio M.
Atomistic insights on the elasticity and Raman spectra of C-S-H from quantum-mechanical simulations
2026-01-01 Maul J.; Mitoli D.; Erba A.; Dutra R.P.S.
CRYSTALpytools: A Python infrastructure for the Crystal code
2023-01-01 Camino, Bruno; Zhou, Huanyu; Ascrizzi, Eleonora; Boccuni, Alberto; Bodo, Filippo; Cossard, Alessandro; Mitoli, Davide; Ferrari, Anna Maria; Erba, Alessandro; Harrison, Nicholas M.
First-Principles Anharmonic Infrared and Raman Vibrational Spectra of Materials: Fermi Resonance in Dry Ice
2024-01-01 Mitoli D.; Maul J.; Erba A.
Mechanical and dynamical stability of major oxide constituents of Portland cement clinker: a density functional theory study
2024-01-01 Maul J.; Mitoli D.; Erba A.; Dutra R.P.S.
Unveiling the Role of Spin Currents on the Giant Rashba Splitting in Single-Layer WSe2
2024-01-01 Boccuni A.; Peluzo B.M.T.C.; Bodo F.; Ambrogio G.; Maul J.; Mitoli D.; Vignale G.; Pittalis S.; Kraka E.; Desmarais J.K.; Erba A.