118 citations · 430 across the 14 of their papers we have counts for
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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.mtrl-sci2019
Optical and electronic properties in ferroelectric barium titanate-based compounds
Ingrid C. Infante, Halyna Volkova, Pascale Gemeiner +9
The bandgap energy values for the ferroelectric BaTiO3-based solid solutions with isovalent substitution Ba1-x SrxTiO3, BaZrxTi1-xO3 and BaSnxTi1-xO3 were determined using diffuse…