52 citations · 58 across the 2 of their papers we have counts for
3 papers
physics.comp-ph2019★ 6 cited
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.…
cond-mat.stat-mech2016★ 52 cited
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…
cond-mat.mtrl-sci2015
A comprehensive study of the phase diagram of K0.5Na0.5NbO3-Bi0.5Na0.5TiO3 system
Laijun Liu, Michael Knapp, Helmut Ehrenberg +7
The phase diagram of lead-free piezoelectric (1-x)K0.5Na0.5NbO3-xBi0.5Na0.5TiO3 system has been studied by high-resolution synchrotron powder diffraction, neutron powder diffractio…