Simulating Vibrational Dynamics on Bosonic Quantum Devices

Area of Science:

• Quantum Computing
• Computational Chemistry
• Quantum Simulation

Background:

• Bosonic quantum devices use harmonic oscillator modes for information encoding.
• They are promising for simulating molecular vibrational dynamics and spectroscopy.
• Conventional qubit-based devices have limitations for these simulations.

Purpose of the Study:

• To present a framework for digital quantum simulation of vibrational dynamics under anharmonic potentials using bosonic devices.
• To enable simulations on current bosonic hardware by decomposing the vibrational Hamiltonian into solvable fragments.

Main Methods:

• Extended the Cartan subalgebra approach to bosonic operators for Hamiltonian decomposition.
• Constructed anharmonic Hamiltonian fragments that are efficiently diagonalizable using Bogoliubov transforms.
• Applied the framework to simulate tunneling dynamics and calculate vibrational eigenenergies.

Main Results:

• Successfully demonstrated a digital quantum simulation framework for anharmonic potentials on bosonic devices.
• Validated the approach through simulations of tunneling dynamics and molecular vibrational energies.
• Showcased the ability to decompose complex Hamiltonians into manageable fragments.

Conclusions:

• The fragmentation scheme provides a novel approach for digital quantum simulations on bosonic hardware.
• Enables efficient simulation of multimode anharmonic vibrational dynamics.
• Advances the application of bosonic quantum devices in computational chemistry and spectroscopy.