Antoine Carof

Quantum localization and delocalization of charge carriers in organic semiconducting crystals

Samuele Giannini, Antoine Carof, Matthew Ellis et al. · Nature Communications · 2019 · 189 citations · Full text

Crossover from Hopping to Band-Like Charge Transport in an Organic Semiconductor Model: Atomistic Nonadiabatic Molecular Dynamics Simulation

Samuele Giannini, Antoine Carof, Jochen Blumberger · The Journal of Physical Chemistry Letters · 2018 · 99 citations · Full text

Charge Excitations, Engineering, Computational Chemistry +19

Molecular Hydrodynamics from Memory Kernels

Dominika Lesnicki, Rodolphe Vuilleumier, Antoine Carof et al. · Physical Review Letters · 2016 · 92 citations · Full text

Molecular Solute, Engineering, Memory Kernels +14

Exciton transport in molecular organic semiconductors boosted by transient quantum delocalization

Samuele Giannini, Wei-Tao Peng, Lorenzo Cupellini et al. · Nature Communications · 2022 · 83 citations · Full text

Detailed balance, internal consistency, and energy conservation in fragment orbital-based surface hopping

Antoine Carof, Samuele Giannini, Jochen Blumberger · The Journal of Chemical Physics · 2017 · 72 citations · Full text

Engineering, Energy Conservation, Proton-coupled Electron Transfer +24