Analog quantum simulation of chemical dynamics

Abstract

Ultrafast chemical reactions are difficult to simulate because they involve entangled, many-body wavefunctions whose computational complexity grows rapidly with molecular size. In photochemistry, the breakdown of the Born-Oppenheimer approximation further...

Analog Quantum Simulation of the Dynamics of Open Quantum Systems with Quantum Dots and Microelectronic Circuits

“…The simulator Hamiltonian is specified by Eqs. ( 24), ( 32), (35), and (36). Thus, as desired, if we associate |g → |T − and |e → |S 0 we can exactly map Ĥ in Eq.…”

“…These technical advances have positioned the QDs as an excellent candidate for analog quantum simulation. Our novel QD approach complements efforts to develop proposals for experimental simulators of open quantum systems based on superconducting qubits [35] and ion traps [36].…”

“…An attractive alternative is analog quantum simulation, [33][34][35][36] which does not require a scalable quantum computer. In this approach, instead of trying to solve the Liouville von Neumann equation using digital computation, the problem of physical interest is mapped onto a highly controllable experimental setup and nature is allowed to do the simulations.…”

Quantum Gaussian process model of potential energy surface for a polyatomic molecule

“…A computation of molecular properties within the Born-Oppenheimer approximation requires solving the electronic structure problem, fitting the results of potential energy calculations to produce global PES and solving the nuclear dynamics problem with the PES thus obtained. Several algorithms have been recently developed for solving electronic structure [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16] and nuclear dynamics [17][18][19][20][21][22] problems on noisy intermediate-scale quantum (NISQ) computers. However, quantum algorithms for producing global PES of polyatomic molecules have not yet been demonstrated.…”

A universal qudit quantum processor with trapped ions

“…Our approach requires only a minimal overhead in classical control capabilities and can be integrated into existing experiments. This will particularly benefit applications that are natively formulated in terms of higher spin models, such as quantum chemistry [2] and quantum simulation of lattice gauge theories [3]. Two key challenges for getting the best performance out of qudit hardware are low cross-talk errors due to the large number of local operations required, and fast re-cooling and readout capabilities to reduce SPAM errors.…”