Publications

F. Yalcin, C. Verdi, V. C. Birschitzky, M. Meier, M. Wolloch, M. Reticcioli
Automated modeling of polarons: defects and reactivity on TiO2(110) surfaces
Pre-print.

C. Shen, C. Verdi, S. Babkin, M. Serbyn, Z. Alpichshev
Nonlinear terahertz polaritonics in a quantum paraelectric
Pre-print.

J. A. Steele, P. J. Strohbeen, C. Verdi, A. Baktash, A. Danilenko, Y.-H. Chen, J. van Dijk, F. H Knudsen, A. Leblanc, D. Perconte, L. Wang, E. Demler, S. Salmani-Rezaie, P. Jacobson, J. Shabani
Superconductivity in substitutional Ga-hyperdoped Ge epitaxial thin films
Nature Natotechnology (2025).

A. Gale, M. Kianinia, J. Horder, C. Tweedie, M. Singhal, D. Scognamiglio, J. Qi, K. Liu, C. Verdi, I. Aharonovich, M. Toth
Quantum emitters in rhombohedral boron nitride
Advanced Optical Materials, e00593 (2025).

M. Houtput, L. Ranalli, C. Verdi, S. Klimin, S. Ragni, C. Franchini, and J. Tempere
First-principles theory of nonlinear long-range electron-phonon interaction
Physical Review B 11, 184320 (2025).

F. Fakhera, O. J. Conquest, C. Verdi, C. Stampfl
Ferroelectricity in layered GaSe: Intralayer and interlayer sliding
Physical Review Materials 9, 054402 (2025).

L. Niu, O. J. Conquest, C. Verdi, and C. Stampfl
Electronic and optical properties of 2D heterostructure bilayers of graphene, borophene and 2D boron carbides from first principles
Nanomaterials 14, 1659 (2024).

L. Ranalli, C. Verdi, M. Zacharias, J. Even, F. Giustino, and C. Franchini
Electron mobilities in SrTiO3 and KTaO3: Role of phonon anharmonicity, mass renormalization, and disorder
Physical Review Materials 8, 104603 (2024).

Y. Sugai, V. P. Rahane, I. Gale, C. Verdi, A. R. Ireland, S. Canola, S. K. M. McGregor, E. G. Moore, N. Jain, E. B. Namdas, and S.-C. Lo
End cap effect on solution-processable deep blue lasing materials with low-amplified spontaneous emission thresholds
ACS Applied Materials & Interfaces 16, 46506 (2024).

A. Tröster, J. Pils, F. Bruckner, I. Rychetsky, C. Verdi, and W. Schranz
Hard antiphase domain boundaries in strontium titanate: A comparison of Landau-Ginzburg-Devonshire and ab initio results
Physical Review B 108, 144108 (2023).

S. Riemelmoser, C. Verdi, M. Kaltak, and G. Kresse
Machine learning density functionals from the random-phase approximation
Journal of Chemical Theory and Computation 19, 7287 (2023).

R. Jinnouchi, S. Minami, F. Karsai, C. Verdi, and G. Kresse
Proton transport in perfluorinated ionomer simulated by machine-learned interatomic potential
The Journal of Physical Chemistry Letters 14, 3581 (2023).

C. Verdi, L. Ranalli, C. Franchini, and G. Kresse
Quantum paraelectricity and structural phase transitions in strontium titanate beyond density functional theory
Physical Review Materials 7, L030801 (2023).

L. Ranalli, C. Verdi, L. Monacelli, G. Kresse, M. Calandra, and C. Franchini
Temperature-dependent anharmonic phonons in quantum paraelectric KTaO3 by first principles and machine-learned force fields
Advanced Quantum Technologies 6, 2200131 (2023).

P. Liu, J. Wang, N. Avargues, C. Verdi, A. Singraber, F. Karsai, X.-Q. Chen, and G. Kresse
Combining machine learning and many-body calculations: Coverage-dependent adsorption of CO on Rh(111)
Physical Review Letters 130, 078001 (2023).

M. Engel, H. Miranda, L. Chaput, A. Togo, C. Verdi, M. Marsman, and G. Kresse
Zero-point renormalization of the band gap of semiconductors and insulators using the projector augmented wave method
Physical Review B 106, 094316 (2022).

A. Tröster, C. Verdi, C. Dellago, I. Rychetsky, G. Kresse, and W. Schranz
Hard antiphase domain boundaries in strontium titanate unravelled using machine-learned force fields
Physical Review Materials 6, 094408 (2022).

N. Kandolf, C. Verdi, and F. Giustino
Many-body Green's function approaches to the doped Fröhlich solid: Exact solutions and anomalous mass enhancement
Physical Review B 105, 085148 (2022).

P. Liu, C. Verdi, F. Karsai, and G. Kresse
Phase transitions of zirconia: Machine-learned force fields beyond density functional theory
Physical Review B 105, L060102 (2022).

C. Verdi, P. Liu, F. Karsai, R. Jinnouchi, and G. Kresse
Thermal transport and phase transitions of zirconia by on-the-fly machine-learned interatomic potentials
npj Computational Materials 7, 156 (2021).

P. Liu, C. Verdi, F. Karsai, and G. Kresse
α-β phase transition of zirconium predicted by on-the-fly machine-learned force field
Physical Review Materials 5, 053804 (2021).

R. Jinnouchi, F. Karsai, C. Verdi, and G. Kresse
First-principles hydration free energies of oxygenated species at water-platinum interfaces
The Journal of Chemical Physics 154, 094107 (2021).

R. Jinnouchi, F. Karsai, C. Verdi, R. Asahi, and G. Kresse
Descriptors representing two- and three-body atomic distributions and their effects on the accuracy of machine-learned inter-atomic potentials
The Journal of Chemical Physics 152, 234102 (2020).

M. Husanu, L. Vistoli, C. Verdi, A. Sander, V. Garcia, J. Rault, F. Bisti, L. L. Lev, T. Schmitt, F. Giustino, A. S. Mishchenko, M. Bibes, and V. N. Strocov
Electron-polaron dichotomy of charge carriers in perovskite oxides
Communications Physics 3, 62 (2020).

W. H. Sio, C. Verdi, S. Poncé, and F. Giustino
Polarons from first principles, without supercells
Physical Review Letters 122, 246403 (2019).

W. H. Sio, C. Verdi, S. Poncé, and F. Giustino
Ab initio theory of polarons: Formalism and applications
Physical Review B 99, 235139 (2019).

F. Caruso, C. Verdi and F. Giustino
Many-body calculations of plasmon and phonon satellites in angle-resolved photoelectron spectra using the cumulant expansion approach
In Handbook of Materials Modeling: Methods: Theory and Modeling, edited by W. Andreoni and S. Yip (Springer, 2018).

J. M. Riley, F. Caruso, C. Verdi, L. B. Duffy, M. D. Watson, L. Bawden, K. Volckaert, G. van der Laan, T. Hesjedal, M. Hoesch, F. Giustino, and P. D. C. King
Crossover from lattice to plasmonic polarons of a spin-polarised electron gas in ferromagnetic EuO
Nature Communications 9, 2305 (2018).

F. Caruso, C. Verdi, S. Poncé, and F. Giustino
Electron-plasmon and electron-phonon satellites in the angle-resolved photoelectron spectra of n-doped anatase TiO2
Physical Review B 97, 165113 (2018).

C. L. Davies, M. R. Filip, J. B. Patel, T. W. Crothers, C. Verdi, A. D. Wright, R. L. Milot, F. Giustino, M. B. Johnston, and L. M. Herz
Bimolecular recombination in methylammonium lead triiodide perovskite: An inverse absorption process
Nature Communications 9, 293 (2018).

C. Verdi, F. Caruso, and F. Giustino
Origin of the crossover from polarons to Fermi liquids in transition metal oxides
Nature Communications 8, 15769 (2017).

S. Poncé, E. R. Margine, C. Verdi, and F. Giustino
EPW: Electron-phonon coupling, transport and superconducting properties using maximally localized Wannier functions
Computer Physics Communications 209, 116 (2016).

A. D. Wright, C. Verdi, R. L. Milot, G. E. Eperon, M. A. Pérez-Osorio, H. J. Snaith, F. Giustino, M. Johnston, and L. M. Herz
Electron-phonon coupling in hybrid lead halide perovskites
Nature Communications 7, 11755 (2016).

M. Filip, C. Verdi, and F. Giustino
GW band structures and carrier effective masses of CH3NH3PbI3 and hypothetical perovskites of the type APbI3: A = NH4, PH4, AsH4, and SbH4
Journal of Physical Chemistry C 119, 25209 (2015).

C. Verdi and F. Giustino
Fröhlich electron-phonon vertex from first principles
Physical Review Letters 115, 176401 (2015).

C. Verdi, E. Mosconi, F. De Angelis, M. Marsili, and P. Umari
Alignment of energy levels in dye/semiconductor interfaces by GW calculations: Effects due to coadsorption of solvent molecules
Physical Review B 90, 155410 (2014).