Marc Ganzhorn

Quantum optimization using variational algorithms on near-term quantum devices

Universal fault-tolerant quantum computers will require error-free execution of long sequences of quantum gate operations, which is expected to involve millions of physical qubits. Before the full power of such machines will be available, near-term quantum devices will provide several hundred qubits and limited error correction. Still, there is a realistic prospect to run useful algorithms within the limited circuit depth of such devices. Particularly promising are optimization algorithms that follow a hybrid approach: the aim is to steer a highly entangled state on a quantum system to a target state that minimizes a cost function via variation of some gate parameters. This variational approach can be used both for classical optimization problems as well as for problems in quantum chemistry. The challenge is to converge to the target state given the limited coherence time and connectivity of the qubits. In this context, the quantum volume as a metric to compare the power of near-term quantum devices is discussed. nWith focus on chemistry applications, a general description of variational algorithms is provided and the mapping from fermions to qubits is explained. Coupled-cluster and heuristic trial wave-functions are considered for efficiently finding molecular ground states. Furthermore, simple error-mitigation schemes are introduced that could improve the accuracy of determining ground-state energies. Advancing these techniques may lead to near-term demonstrations of useful quantum computation with systems containing several hundred qubits.

Analysis of a parametrically driven exchange-type gate and a two-photon excitation gate between superconducting qubits

A current bottleneck for quantum computation is the realization of high-fidelity two-qubit quantum operations between two or more quantum bits in arrays of coupled qubits. Gates based on parametrically driven tunable couplers offer a convenient method to entangle multiple qubits by selectively activating different interaction terms in the effective Hamiltonian. Here, we theoretically and experimentally study a superconducting qubit setup with two transmon qubits connected via a capacitively coupled tunable bus. We develop a time-dependent Schrieffer-Wolff transformation and derive analytic expressions for exchange-interaction gates swapping excitations between the qubits (iswap) and for two-photon gates creating and annihilating simultaneous two-qubit excitations (bswap). We find that the bswap gate is generally slower than the more commonly used iswap gate, but features favorable scalability properties with less severe frequency-crowding effects, which typically degrade the fidelity in multiqubit setups. Our theoretical results are backed by experimental measurements as well as exact numerical simulations including the effects of higher transmon levels and dissipation.

Quantum algorithms for electronic structure calculations: Particle-hole Hamiltonian and optimized wave-function expansions

In this work we investigate methods to improve the efficiency and scalability of quantum algorithms for quantum chemistry applications. We propose a transformation of the electronic structure Hamiltonian in the second quantization framework into the particle-hole (p/h) picture, which offers a better starting point for the expansion of the trial wavefunction. The state of the molecular system at study is parametrized in a way to efficiently explore the sector of the molecular Fock space that contains the desired solution. To this end, we explore several trial wavefunctions to identify the most efficient parameterization of the molecular ground state. Taking advantage of known post-Hartree Fock quantum chemistry approaches and heuristic Hilbert space search quantum algorithms, we propose a new family of quantum circuits based on exchange-type gates that enable accurate calculations while keeping the gate count (i.e., the circuit depth) low. The particle-hole implementation of the Unitary Coupled Cluster (UCC) method within the Variational Quantum Eigensolver approach gives rise to an efficient quantum algorithm, named q-UCC , with important advantages compared to the straightforward translation of the classical Coupled Cluster counterpart. In particular, we show how a single Trotter step can accurately and efficiently reproduce the ground state energies of simple molecular systems.