Magnon-phonon interactions enhance the gap at the Dirac point in the spin-wave spectra of CrI3 two-dimensional magnets

P. Delugas, O. Baseggio, I. Timrov, S. Baroni, and T. Gorni

Phys. Rev. B 107, 214452 (2023) DOI: 10.1103/PhysRevB.107.214452

Self-interaction and transport of solvated electrons in molten salts

P. Pegolo, S. Baroni, and F. Grasselli

J. Chem. Phys. 159, 094116 (2023) DOI: 10.1063/5.0169474

Efficient full frequency GW for metals using a multipole approach for the dielectric screening

Dario A. Leon, Andrea Ferretti, Daniele Varsano, Elisa Molinari, and Claudia Cardoso

Phys. Rev. B 107, 155130 (2023) DOI: 10.1103/PhysRevB.107.155130

Quenching of low-energy optical absorption in bilayer C3 N polytypes

M. Zanfrognini, M. Bonacci, F. Paleari, E. Molinari, A. Ruini, A. Ferretti, M. J. Caldas, and D. Varsano

Phys. Rev. Materials 7, 064006 DOI: 10.1103/PhysRevMaterials.7.064006

Dielectric response and excitations of hydrogenated free-standing graphene

M. G. Betti a, D. Marchiani, A. Tonelli, M. Sbroscia, E. Blundo, M. De Luca, A. Polimeni, R. Frisenda, C. Mariani, S. Jeong, Y. Ito, N. Cavani, R. Biagi, P. N.O. Gillespie, M. A. Hernandez Bertran, M. Bonacci, E. Molinari, V. De Renzi, and D. Prezzi

Carbon Trends, 12, 100274 (2023) DOI: 10.1016/j.cartre.2023.100274

Towards high-throughput many-body perturbation theory: efficient algorithms and automated workflows

M. Bonacci, J. Qiao, N. Spallanzani, A. Marrazzo, G. Pizzi, E. Molinari, D. Varsano, A. Ferretti, and D. Prezzi

npj Comput Mater 9, 74 (2023) DOI:10.1038/s41524-023-01027-2

Modular implementation of the linear- and cubic-scaling orbital minimization methods in electronic structure codes using atomic orbitals

I. V. Lebedeva, A. García, E. Artacho, and P. Ordejón

R. Soc. Open Sci. 10: 230063 DOI:10.1098/rsos.230063

Efficient GW calculations in two dimensional materials through a stochastic integration of the screened potential

A. Guandalini, P. D'Amico, A. Ferretti, and D. Varsano

npj Computational Materials 9, 44 (2023) DOI:10.1038/s41524-023-00989-7

First-principles study of luminescence in hexagonal boron nitride single layer: Exciton-phonon coupling and the role of substrate

P. Lechifflart, F. Paleari, D. Sangalli, and C. Attaccalite

Phys. Rev. Materials 7, 024006 (2023) DOI:10.1103/PhysRevMaterials.7.024006

From Green-Kubo to the full Boltzmann kinetic approach to heat transport in crystals and glasses

A. Fiorentino and S. Baroni

Phys. Rev. B 107, 054311 (2023) DOI:10.1103/PhysRevB.107.054311

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