Alessandro Erba

University of Turin — Italy

Physics and Astronomy · Physical Sciences

38h-index6.8kcitations147works3.42yr avg
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Research Topics

Advanced Chemical Physics Studies(41), High-pressure geophysics and materials(38), Solid-state spectroscopy and crystallography(18), Crystallography and molecular interactions(16), X-ray Diffraction in Crystallography(14)

Publications147 total

Local Vibrational Mode Analysis of Phonon Dispersion Relations in Crystals
Journal of Chemical Theory and Computation·2026Open Access
Atomistic insights on the elasticity and Raman spectra of C‐S‐H from quantum‐mechanical simulations
Journal of the American Ceramic Society·2025· 1 cited
Anharmonicity in Molecular Crystals: Generalized Perturbation Theory Meets Periodic Computations
The Journal of Physical Chemistry Letters·2025Open Access
Anharmonic Vibrational States of Double-Well Potentials in the Solid State from DFT Calculations
Journal of Chemical Theory and Computation·2025· 3 citedOpen Access
Meta-Generalized Gradient Approximation Made Magnetic
Physical Review Letters·2025· 7 cited
Accelerated linear algebra for large scale DFT calculations of materials on CPU/GPU architectures with CRYSTAL
The Journal of Chemical Physics·2025
Sensor Deprivation Attacks for Stealthy UAV Manipulation
arXiv (Cornell University)·2024· 1 citedOpen Access
Anharmonic Vibrational States of Double-Well Potentials in the Solid State from DFT Calculations
arXiv (Cornell University)·2024Open Access
The Electron‐Density Distribution of UCl<sub>4</sub> and Its Topology from X‐ray Diffraction
Angewandte Chemie International Edition·2024· 1 citedOpen Access
The Electron‐Density Distribution of UCl<sub>4</sub> and Its Topology from X‐ray Diffraction
Angewandte Chemie·2024· 1 citedOpen Access
Electron Localization Function for Noncollinear Spins
Physical Review Letters·2024· 14 cited
Meta-Generalized-Gradient Approximation made Magnetic
arXiv (Cornell University)·2024Open Access
Unveiling the Role of Spin Currents on the Giant Rashba Splitting in Single-Layer WSe<sub>2</sub>
The Journal of Physical Chemistry Letters·2024· 5 cited
Spin Currents via the Gauge Principle for Meta-Generalized Gradient Exchange-Correlation Functionals
Physical Review Letters·2024· 8 cited
Electron localization function for non-collinear spins
arXiv (Cornell University)·2024Open Access
Mechanical and dynamical stability of major oxide constituents of Portland cement clinker: a density functional theory study
Journal of the American Ceramic Society·2024· 2 citedOpen Access
Chemical bonding in Uranium‐based materials: A local vibrational mode case study of Cs 2UO 2Cl 4 and UCl 4 crystals
Journal of Computational Chemistry·2024· 12 citedOpen Access
First-Principles Anharmonic Infrared and Raman Vibrational Spectra of Materials: Fermi Resonance in Dry Ice
The Journal of Physical Chemistry Letters·2024· 4 cited
Generalized Kohn-Sham approach for the electronic band structure of spin-orbit coupled materials
Physical Review Materials·2024· 8 cited
Spin-currents via the gauge-principle for meta-generalized-gradient exchange-correlation functionals
arXiv (Cornell University)·2024Open Access
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Frequent Co-authors

Roberto Dovesi(21), Roberto Orlando(11), Lorenzo Maschio(10), Michel Rérat(10), Silvia Casassa(9), Jefferson Maul(9), Jacopo Baima(7), Matteo Ferrabone(7), Bartolomeo Civalleri(6), Jacques K. Desmarais(6), C. Pisani(5), Michael T. Ruggiero(5), Claudio M. Zicovich‐Wilson(4), Bernard Kirtman(4), Marco De La Pierre(4), Jean‐Pierre Flament(4), Kh. E. El-Kelany(4), Simone Salustro(3), Yves Nöel(3), R. Dovesi(3)