VQE-PDFT hybrid framework computes electron transfer in ErCRY4 cryptochrome protein with rates aligning to experiments using quantum circuits and QM/MM modeling.
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YbN thin films are insulating with a 1.7 eV band gap, showing LO and TO phonon modes plus a defect-induced absorption tail indicating the Fermi level lies in a disordered conduction band minimum.
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Quantum-Classical Hybrid Computation of Electron Transfer in a Cryptochrome Protein via VQE-PDFT and Multiscale Modeling
VQE-PDFT hybrid framework computes electron transfer in ErCRY4 cryptochrome protein with rates aligning to experiments using quantum circuits and QM/MM modeling.
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Optical, vibrational, and electronic properties of semiconducting YbN
YbN thin films are insulating with a 1.7 eV band gap, showing LO and TO phonon modes plus a defect-induced absorption tail indicating the Fermi level lies in a disordered conduction band minimum.