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Imaginary time evolution is a powerful tool for studying quantum systems. While it is possible to simulate with a classical computer, the time and memory requirements generally scale exponentially with the system size. Conversely, quantum computers can efficiently simulate quantum systems, but not non-unitary imaginary time evolution. We propose a variational algorithm for simulating imaginary time evolution on a hybrid quantum computer. We use this algorithm to find the ground-state energy of many-particle systems; specifically molecular hydrogen and lithium hydride, finding the ground state with high probability. Our method can also be applied to general optimisation problems and quantum machine learning. As our algorithm is hybrid, suitable for error mitigation and can exploit shallow quantum circuits, it can be implemented with current quantum computers., Comment: 14 pages

We introduce QuEST, the Quantum Exact Simulation Toolkit, and compare it to ProjectQ, qHipster and a recent distributed implementation of Quantum++. QuEST is the first open source, OpenMP and MPI hybridised, GPU accelerated simulator of universal quantum circuits. Embodied as a C library, it is designed so that a user's code can be deployed seamlessly to any platform from a laptop to a supercomputer. QuEST is capable of simulating generic quantum circuits of general single-qubit gates and multi-qubit controlled gates, on pure and mixed states, represented as state-vectors and density matrices, and under the presence of decoherence. Using the ARCUS Phase-B and ARCHER supercomputers, we benchmark QuEST's simulation of random circuits of up to 38 qubits, distributed over up to 2048 compute nodes, each with up to 24 cores. We directly compare QuEST's performance to ProjectQ's on single machines, and discuss the differences in distribution strategies of QuEST, qHipster and Quantum++. QuEST shows excellent scaling, both strong and weak, on multicore and distributed architectures., 8 pages, 8 figures; fixed typos; updated QuEST URL and fixed typo in Fig. 4 caption where ProjectQ and QuEST were swapped in speedup subplot explanation; added explanation of simulation algorithm, updated bibliography; stressed technical novelty of QuEST; mentioned new density matrix support