52 citations · 77 across the 5 of their papers we have counts for
5 papers
Nuclear quantum effects in molecular dynamics simulations
H. Dammak, M. Hayoun, F Brieuc +1
To take into account nuclear quantum effects on the dynamics of atoms, the path integral molecular dynamics (PIMD) method used since 1980s is based on the formalism developed by R.…
Zero-Point Energy Leakage in Quantum Thermal Bath Molecular Dynamics Simulations
Fabien Brieuc, Yael Bronstein, Hichem Dammak +3
The quantum thermal bath (QTB) has been presented as analternative to path-integral-based methods to introduce nuclear quantumeffects in molecular dynamics simulations. The method…
A rational use of BCA code MARLOWE for ballistic effects of ion beam irradiation in the ion mixing formalism: comparison to Molecular Dynamics
G. Demange, E. Antoshchenkova, M. Hayoun +2
Understanding ballistic effects caused by ion beam irradiation, and linking them with induced structure can be a key point for controlling and predicting the microstructure of irra…
Deviation From the Landau-Lifshitz-Gilbert equation in the Inertial regime of the Magnetization
E. Olive, Y. Lansac, M. Meyer +2
We investigate in details the inertial dynamics of a uniform magnetization in the ferromagnetic resonance (FMR) context. Analytical predictions and numerical simulations of the com…
Low-temperature anharmonicity of barium titanate: a path-integral molecular dynamics study
Gregory Geneste, Hichem Dammak, Marc Hayoun +1
We investigate the influence of quantum effects on the dielectric and piezoelectric properties of barium titanate in its (low-temperature) rhombohedral phase, and show the strongly…