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The Libra-X software for non-adiabatic molecular dynamics is reported. It is used to comprehensively study the charge transfer dynamics at the boron subphtalocyanine chloride (SubPc)/fullerene (C 60 ) interface.

Charge transfer dynamics at the boron subphthalocyanine chloride/C60 interface: non-adiabatic dynamics study with Libra-X

Charge transfer dynamics at the boron subphthalocyanine chloride/C₆₀ interface: non-adiabatic dynamics study with Libra-X