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cond-mat.mtrl-sci2026
Ab initio parametrization of distributed polarizable force fields
Felix Post, Jean-Philip Filling, Toulik Maitra +3
Polarizable force fields offer superior transferability and accuracy compared to classical force fields, enabling access to electronic response properties such as refractive index…
cond-mat.mtrl-sci2015★ 1 cited
Anisotropic electron mobility studies on Cl2-NDI single crystals and the role of static and dynamic lattice deformations upon temperature variation
Nis Hauke Hansen, Falk May, Daniel Kälblein +9
The anisotropic electron transport in the (001) plane of sublimation-grown Cl-NDI (naphthalene diimide) single crystals is analysed over a temperature range between 175 K and…