Chemical Science · 2023 · 24 citations · 49 references
Natural SciencesChemistryPhysicsComputational ChemistryComputational PhysicsTheoretical ChemistryComputational ModelingComputational Quantum MechanicsMolecular DynamicsMolecular Quantum MechanicsMolecular SimulationQuantum SimulationComputational Vibrational SpectroscopyMolecular Vibronic SimulationQuantum Chemical ModelingQuantum Chemical Spectra PredictionQuantum Mechanics ModelingQuantum Molecular DynamicsScalabilityTime-domain Simulation
Analog quantum computers can calculate molecular vibronic spectra using time-domain simulation, with exponentially greater scalability than previous, frequency-domain approaches. An accurate, trapped-ion simulation of SO 2 validates the approach.
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