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QuantumDNA is an open-source Python package for simulating exciton and charge transfer in DNA using quantum mechanical methods. Designed for interdisciplinary research, it combines a user-friendly GUI with efficient tools for statistical screening of DNA sequences.
This code package simulates the time evolution of a multi-site electron transfer chain, with quantum yield, energy efficiency, and rate matrices as key outputs. The simulation models the rates and population dynamics of multi-step hopping with inter-cofactor separations and driving forces (ΔG) as input parameters.
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