Carla, George, Feliciano, Miguel Angel, Samuel, Martin
Nourdine, Xiao-Long, Christoph, Fabio, Kun, Marina, Marios


C. Heil, S. Poncé, H. Lambert, M. Schlipf, E. R. Margine, and F. Giustino
Origin of Superconductivity and Latent Charge Density Wave in NbS2
Phys. Rev. Lett., 119, 087003 (2017)

G. Volonakis, A. A. Haghighirad, H. J. Snaith, and F. Giustino
Route to Stable Lead-Free Double Perovskites with the Electronic Structure of CH3NH3PbI3: A Case for Mixed-Cation [Cs/CH3NH3/CH(NH2)2]2InBiBr6
J. Phys. Chem. Lett., 8, 3917 (2017)

M. A. Pérez-Osorio, A. Champagne, M. Zacharias, G. Rignanese, and F. Giustino
Van der Waals Interactions and Anharmonicity in the Lattice Vibrations, Dielectric Constants, Effective Charges, and Infrared Spectra of the Organic–Inorganic Halide Perovskite CH3NH3PbI3
J. Phys. Chem. C (2017)


Tier-0 PRACE DECI-15 Project
Charge Transport In Perovskite Solar Cells - CATNIP

PRACE DECI-14 Projects
1. Perovskite interfaces from first-principles - PerInt
2. First-principle Carrier Transport in semiconductors using EPW

ARCHER Leadership Project
Advanced Materials for Solar Energy Conversion - AMSEC


F. Giustino
Materials Modelling using Density Functional Theory