G. Volonakis and F. Giustino
Interfaces Between Graphene‐Related Materials and MAPbI3: Insights from First‐Principles
Adv. Mater. Interfaces 1800496 (2018)

Cover of the special section on "Interfacial engineering of perovskite solar cells for improved performance and stability". High-res cover

M. Schlipf, S. Poncé, and F. Giustino
Carrier lifetimes and polaronic mass enhancement in the hybrid halide perovskite CH3NH3PbI3 from multi-phonon Fröhlich coupling
Phys. Rev. Lett. 121, 086402 (2018)

M. A. Pérez-Osorio, Q. Lin, R. T. Phillips, R. L. Milot, L. M. Herz, M. B. Johnston, and F. Giustino
Raman spectrum of the organic-inorganic halide perovskite CH3NH3PbI3 from first principles and high-resolution low-temperature Raman measurements
J. Phys. Chem. C 122, 21703 (2018)


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