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| | Issue Date | Title | Author(s) | Journal |
| 1 | 1-Dec-2023 | Anharmonic electron-phonon coupling in ultrasoft and locally disordered perovskites | Zacharias, Marios ; Volonakis, George ; Giustino, Feliciano ; Even, Jacky | npj Computational Materials |
| 2 | 15-Nov-2021 | Multiphonon diffuse scattering in solids from first principles: Application to layered crystals and two-dimensional materials | Zacharias, Marios ; Seiler, Hélène ; Caruso, Fabio ; Zahn, Daniela ; Giustino, Feliciano ; Kelires, Pantelis C. ; Ernstorfer, Ralph | Physical Review B |
| 3 | 12-Nov-2021 | Efficient First-Principles Methodology for the Calculation of the All-Phonon Inelastic Scattering in Solids | Zacharias, Marios ; Seiler, Hélène ; Caruso, Fabio ; Zahn, Daniela ; Giustino, Feliciano ; Kelires, Pantelis C. ; Ernstorfer, Ralph | Physical Review Letters |
| 4 | 7-Oct-2021 | Quasiparticle Band Structure and Phonon-Induced Band Gap Renormalization of the Lead-Free Halide Double Perovskite Cs2InAgCl6 | Ha, Viet Anh ; Volonakis, George ; Lee, Hyungjun ; Zacharias, Marios ; Giustino, Feliciano | The Journal of Physical Chemistry C |
| 5 | 22-Apr-2021 | Exciton-Phonon Interactions in Monolayer Germanium Selenide from First Principles | Huang, Tianlun Allan ; Zacharias, Marios ; Lewis, D Kirk ; Giustino, Feliciano ; Sharifzadeh, Sahar | The Journal of Physical Chemistry Letters |
| 6 | 12-Mar-2021 | Crystallographic, Optical, and Electronic Properties of the Cs2AgBi1–xInxBr6 Double Perovskite: Understanding the Fundamental Photovoltaic Efficiency Challenges | Schade, Laura ; Mahesh, Suhas ; Volonakis, George ; Zacharias, Marios ; Wenger, Bernard ; Schmidt, Felix ; Kesava, Sameer Vajjala ; Prabhakaran, Dharmalingam ; Abdi-Jalebi, Mojtaba ; Lenz, Markus ; Giustino, Feliciano ; Longo, Giulia ; Radaelli, Paolo G. ; Snaith, Henry J. | ACS Energy Letters |
