Simulating Chemistry on Bosonic Quantum Devices
arxiv(2024)
摘要
Bosonic quantum devices offer a novel approach to realize quantum
computations, where the quantum two-level system (qubit) is replaced with the
quantum (an)harmonic oscillator (qumode) as the fundamental building block of
the quantum simulator. The simulation of chemical structure and dynamics can
then be achieved by representing or mapping the system Hamiltonians in terms of
bosonic operators. In this perspective, we review recent progress and future
potential of using bosonic quantum devices for addressing a wide range of
challenging chemical problems, including the calculation of molecular vibronic
spectra, the simulation of gas-phase and solution-phase adiabatic and
nonadiabatic chemical dynamics, the efficient solution of molecular graph
theory problems, and the calculations of electronic structure.
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