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authFullName_s : Fabien Brieuc
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Proton diffusion mechanisms in the double perovskite cathode material GdBaCo2O5.5 : A molecular dynamics study

Fabien Brieuc , Guilhem Dezanneau , Marc Hayoun , Hichem Dammak
Solid State Ionics, 2017, 309, pp.187 - 191. ⟨10.1016/j.ssi.2017.07.017⟩
Journal articles hal-01932509v1
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Isotope effect on hydrogen bond symmetrization in hydrogen and deuterium fluoride crystals by molecular dynamics simulation

Hichem Dammak , Fabien Brieuc , Grégory Geneste , Marc Torrent , Marc Hayoun
Physical Chemistry Chemical Physics, 2019, 21 (6), pp.3211-3217. ⟨10.1039/c8cp06949b⟩
Journal articles hal-02118446v1
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Quantum Thermal Bath for Path Integral Molecular Dynamics Simulation

Fabien Brieuc , Hichem Dammak , Marc Hayoun
Journal of Chemical Theory and Computation, 2016, 12 (3), pp.1351 - 1359. ⟨10.1021/acs.jctc.5b01146⟩
Journal articles hal-01932606v1
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Zero-Point Energy Leakage in Quantum Thermal Bath Molecular Dynamics Simulations

Fabien Brieuc , Yael Bronstein , Hichem Dammak , Philippe Depondt , Fabio Finocchi , et al.
Journal of Chemical Theory and Computation, 2016, 12 (12), pp.DOI: 10.1021/acs.jctc.6b00684. ⟨10.1021/acs.jctc.6b00684⟩
Journal articles hal-01401689v1