Manuel Grumet

Anharmonic Lattice Dynamics in Sodium Ion Conductors

Thomas M. Brenner, D. Egger, O. Yaffe, 2022, The journal of physical chemistry letters.

Beyond the quasiparticle approximation: Fully self-consistent GW calculations

Georg Kresse, Merzuk Kaltak, Jivr'i Klimevs, 2018, Physical Review B.

Self-Consistent $GW$ calculations for semiconductors and insulators

Georg Kresse, Merzuk Kaltak, J. Klimeš, 2018 .

Dynamic tight binding for large-scale electronic-structure calculations of semiconductors at finite temperatures

D. Egger, Maximilian J. Schilcher, Manuel Grumet, 2023, 2308.08897.

Accurate Description of Ion Migration in Solid-State Ion Conductors from Machine-Learning Molecular Dynamics

Manuel Grumet, Takeru Miyagawa, David A. Egger, 2024, Journal of Materials Chemistry A.

Disentangling the effects of structure and lone-pair electrons in the lattice dynamics of halide perovskites

M. Kovalenko, Douglas H. Fabini, O. Yaffe, 2023, Nature communications.