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Antoine Carof

University College London

16

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323

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Charge Tranport: Flickering Polarons Extending over Ten Nanometres Mediate Charge Transport in High‐Mobility Organic Crystals (Adv. Theory Simul. 9/2020)

2020
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Quantum localization and delocalization of charge carriers in organic semiconducting crystals

2019 Nature Communications
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Crossover from Hopping to Band-Like Charge Transport in an Organic Semiconductor Model: Atomistic Nonadiabatic Molecular Dynamics Simulation

2018 Journal of Physical Chemistry Letters
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Detailed balance, internal consistency, and energy conservation in fragment orbital- based surface hopping

2017 Journal of Chemical Physics
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Molecular hydrodynamics from memory kernels

2016 Physical Review Letters
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Confronting surface hopping molecular dynamics with Marcus theory for a molecular donor–acceptor system

2016 Faraday Discussions
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On the microscopic fluctuations driving the NMR relaxation of quadrupolar ions in water

2015 Journal of Chemical Physics
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Coarse graining the dynamics of nano-confined solutes: the case of ions in clays

2014 Molecular Simulation
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Accurate Quadrupolar NMR Relaxation Rates of Aqueous Cations from Classical Molecular Dynamics

2014 Journal of Physical Chemistry B
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Citations (11)