Dr Carla Verdi

Caruso, Fabio, Verdi, Carla and Giustino, Feliciano (2020). Many-body calculations of plasmon and phonon satellites in angle-resolved photoelectron spectra using the cumulant expansion approach. Handbook of materials modeling: methods: theory and modeling. (pp. 341-365) edited by Wanda Andreoni and Sidney Yip. Cham, Switzerland: Springer International Publishing. doi: 10.1007/978-3-319-44677-6_2

Caruso, Fabio, Verdi, Carla and Giustino, Feliciano (2018). Many-Body Calculations of Plasmon and Phonon Satellites in Angle-Resolved Photoelectron Spectra Using the Cumulant Expansion Approach. Handbook of Materials Modeling. (pp. 1-25) Cham, Switzerland: Springer. doi: 10.1007/978-3-319-42913-7_2-1

Niu, Lu, Conquest, Oliver J., Verdi, Carla and Stampfl, Catherine (2024). Electronic and Optical Properties of 2D Heterostructure Bilayers of Graphene, Borophene and 2D Boron Carbides from First Principles. Nanomaterials, 14 (20) 1659, 1659. doi: 10.3390/nano14201659

Ranalli, Luigi, Verdi, Carla, Zacharias, Marios, Even, Jacky, Giustino, Feliciano and Franchini, Cesare (2024). Electron mobilities in SrTiO3 and KTaO3 : Role of phonon anharmonicity, mass renormalization, and disorder. Physical Review Materials, 8 (10) 104603. doi: 10.1103/physrevmaterials.8.104603

Sugai, Yoshiki, Rahane, Vijay P., Gale, Innes, Verdi, Carla, Ireland, Alexander R., Canola, Sofia, McGregor, Sarah K. M., Moore, Evan G., Jain, Nidhi, Namdas, Ebinazar B. and Lo, Shih-Chun (2024). End Cap Effect on Solution-Processable Deep Blue Lasing Materials with Low-Amplified Spontaneous Emission Thresholds. ACS Applied Materials & Interfaces, 16 (35), 46506-46515. doi: 10.1021/acsami.4c07286

Tröster, A., Pils, J., Bruckner, F., Rychetsky, I., Verdi, C. and Schranz, W. (2023). Hard antiphase domain boundaries in strontium titanate: A comparison of Landau-Ginzburg-Devonshire and ab initio results. Physical Review B, 108 (14) 144108. doi: 10.1103/physrevb.108.144108

Riemelmoser, Stefan, Verdi, Carla, Kaltak, Merzuk and Kresse, Georg (2023). Machine learning density functionals from the random-phase approximation. Journal of Chemical Theory and Computation, 19 (20), 7287-7299. doi: 10.1021/acs.jctc.3c00848

Jinnouchi, Ryosuke, Minami, Saori, Karsai, Ferenc, Verdi, Carla and Kresse, Georg (2023). Proton transport in perfluorinated ionomer simulated by machine-learned interatomic potential. Journal of Physical Chemistry Letters, 14 (14), 3581-3588. doi: 10.1021/acs.jpclett.3c00293

Ranalli, Luigi, Verdi, Carla, Monacelli, Lorenzo, Kresse, Georg, Calandra, Matteo and Franchini, Cesare (2023). Temperature-dependent anharmonic phonons in quantum paraelectric KTaO3 by first principles and machine-learned force fields. Advanced Quantum Technologies, 6 (4) 2200131, 1-7. doi: 10.1002/qute.202200131

Verdi, Carla, Ranalli, Luigi, Franchini, Cesare and Kresse, Georg (2023). Quantum paraelectricity and structural phase transitions in strontium titanate beyond density functional theory. Physical Review Materials, 7 (3) L030801. doi: 10.1103/PhysRevMaterials.7.L030801

Liu, Peitao, Wang, Jiantao, Avargues, Noah, Verdi, Carla, Singraber, Andreas, Karsai, Ferenc, Chen, Xing-Qiu and Kresse, Georg (2023). Combining machine learning and many-body calculations: coverage-dependent adsorption of CO on Rh(111). Physical Review Letters, 130 (7) 078001. doi: 10.1103/PhysRevLett.130.078001

Tröster, A., Verdi, C., Dellago, C., Rychetsky, I., Kresse, G. and Schranz, W. (2022). Hard antiphase domain boundaries in strontium titanate unravelled using machine-learned force fields. Physical Review Materials, 6 (9) 094408. doi: 10.1103/PhysRevMaterials.6.094408

Engel, Manuel, Miranda, Henrique, Chaput, Laurent, Togo, Atsushi, Verdi, Carla, Marsman, Martijn and Kresse, Georg (2022). Zero-point renormalization of the band gap of semiconductors and insulators using the projector augmented wave method. Physical Review B, 106 (9) 094316. doi: 10.1103/PhysRevB.106.094316

Kandolf, Nikolaus, Verdi, Carla and Giustino, Feliciano (2022). Many-body Green's function approaches to the doped Fröhlich solid: Exact solutions and anomalous mass enhancement. Physical Review B, 105 (8) 085148. doi: 10.1103/PhysRevB.105.085148

Liu, Peitao, Verdi, Carla, Karsai, Ferenc and Kresse, Georg (2022). Phase transitions of zirconia: Machine-learned force fields beyond density functional theory. Physical Review B, 105 (6) L060102. doi: 10.1103/PhysRevB.105.L060102

Verdi, Carla, Karsai, Ferenc, Liu, Peitao, Jinnouchi, Ryosuke and Kresse, Georg (2021). Thermal transport and phase transitions of zirconia by on-the-fly machine-learned interatomic potentials. npj Computational Materials, 7 (1) 156. doi: 10.1038/s41524-021-00630-5

Liu, Peitao, Verdi, Carla, Karsai, Ferenc and Kresse, Georg (2021). α-β phase transition of zirconium predicted by on-the-fly machine-learned force field. Physical Review Materials, 5 (5) 053804. doi: 10.1103/PhysRevMaterials.5.053804

Jinnouchi, Ryosuke, Karsai, Ferenc, Verdi, Carla and Kresse, Georg (2021). First-principles hydration free energies of oxygenated species at water-platinum interfaces. Journal of Chemical Physics, 154 (9) 094107. doi: 10.1063/5.0036097

Husanu, M. A., Vistoli, L., Verdi, C., Sander, A., Garcia, V., Rault, J., Bisti, F., Lev, L. L., Schmitt, T., Giustino, F., Mishchenko, A. S., Bibes, M. and Strocov, V. N. (2020). Electron-polaron dichotomy of charge carriers in perovskite oxides. Communications Physics, 3 (1) 62, 1-8. doi: 10.1038/s42005-020-0330-6

Jinnouchi, Ryosuke, Karsai, Ferenc, Verdi, Carla, Asahi, Ryoji and Kresse, Georg (2020). Descriptors representing two-and three-body atomic distributions and their effects on the accuracy of machine-learned inter-atomic potentials. Journal of Chemical Physics, 152 (23) 234102, 1-9. doi: 10.1063/5.0009491

Sio, Weng Hong, Verdi, Carla, Poncé, Samuel and Giustino, Feliciano (2019). Ab initio theory of polarons: Formalism and applications. Physical Review B, 99 (23) 235139, 1-21. doi: 10.1103/PhysRevB.99.235139

Sio, Weng Hong, Verdi, Carla, Poncé, Samuel and Giustino, Feliciano (2019). Polarons from First Principles, without Supercells. Physical Review Letters, 122 (24) 246403, 1-6. doi: 10.1103/PhysRevLett.122.246403

Riley, J. M., Caruso, F., Verdi, C., Duffy, L. B., Watson, M. D., Bawden, L., Volckaert, K., Van Der Laan, G., Hesjedal, T., Hoesch, M., Giustino, F. and King, P. D.C. (2018). Crossover from lattice to plasmonic polarons of a spin-polarised electron gas in ferromagnetic EuO. Nature Communications, 9 (1) 2305, 1-8. doi: 10.1038/s41467-018-04749-w

Davies, Christopher L., Filip, Marina R., Patel, Jay B., Crothers, Timothy W., Verdi, Carla, Wright, Adam D., Milot, Rebecca L., Giustino, Feliciano, Johnston, Michael B. and Herz, Laura M. (2018). Bimolecular recombination in methylammonium lead triiodide perovskite is an inverse absorption process. Nature Communications, 9 (1) 293, 1-9. doi: 10.1038/s41467-017-02670-2

Caruso, Fabio, Verdi, Carla, Poncé, Samuel and Giustino, Feliciano (2018). Electron-plasmon and electron-phonon satellites in the angle-resolved photoelectron spectra of n -doped anatase TiO2. Physical Review B, 97 (16) 165113, 1-9. doi: 10.1103/PhysRevB.97.165113

Verdi, Carla, Caruso, Fabio and Giustino, Feliciano (2017). Origin of the crossover from polarons to Fermi liquids in transition metal oxides. Nature Communications, 8 15769, 1-7. doi: 10.1038/ncomms15769

Ponce, S., Margine, E. R., Verdi, C. and Giustino, F. (2016). EPW: Electron–phonon coupling, transport and superconducting properties using maximally localized Wannier functions. Computer Physics Communications, 209, 116-133. doi: 10.1016/j.cpc.2016.07.028

Wright, Adam D., Verdi, Carla, Milot, Rebecca L., Eperon, Giles E., Pérez-Osorio, Miguel A., Snaith, Henry J., Giustino, Feliciano, Johnston, Michael B. and Herz, Laura M. (2016). Electron-phonon coupling in hybrid lead halide perovskites. Nature Communications, 7 (1) 11755, 1-9. doi: 10.1038/ncomms11755

Verdi, Carla and Giustino, Feliciano (2015). Fröhlich electron-phonon vertex from first principles. Physical Review Letters, 115 (17) 176401. doi: 10.1103/PhysRevLett.115.176401

Filip, Marina R., Verdi, Carla and Giustino, Feliciano (2015). 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 (45), 25209-25219. doi: 10.1021/acs.jpcc.5b07891

Verdi, Carla, Mosconi, Edoardo, De Angelis, Filippo, Marsili, Margherita and Umari, P. (2014). Alignment of energy levels in dye/semiconductor interfaces by GW calculations: Effects due to coadsorption of solvent molecules. Physical Review B - Condensed Matter and Materials Physics, 90 (15) 155410. doi: 10.1103/PhysRevB.90.155410

Dr Carla Verdi

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