2 papers
cond-mat.mtrl-sci2026
A hidden bulk polymorph governs charge transport dimensionality in an organic semiconductor
Caterina Zuffa, Marco Bardini, Fabian Gasser +11
Organic semiconductors (OSCs) are widely explored for flexible optoelectronic technologies, with performance governed not only by molecular design, but also by solid-state packing,…
cond-mat.mtrl-sci2025
Accurate and Efficient Phonon Calculations in Molecular Crystals via Minimal Molecular Displacements
Lorenzo Soprani, Andrea Giunchi, Marco Bardini +2
Vibrational dynamics governs the fundamental properties of molecular crystals, shaping their thermodynamics, mechanics, spectroscopy, and transport phenomena. However desirable, th…