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تسجيل مستخدم جديدElectronic structure with direct diagonalization on a D-Wave quantum annealer
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Quantum chemistry is regarded to be one of the first disciplines that will be revolutionized by quantum computing. Although universal quantum computers of practical scale may be years away, various approaches are currently being pursued to solve quantum chemistry problems on near-term gate-based quantum computers and quantum annealers by developing the appropriate algorithm and software base. This work implements the general Quantum Annealer Eigensolver (QAE) algorithm to solve the molecular electronic Hamiltonian eigenvalue-eigenvector problem on a D-Wave 2000Q quantum annealer. The approach is based on the matrix formulation, efficiently uses qubit resources based on a power-of-two encoding scheme and is hardware-dominant relying on only one classically optimized parameter. We demonstrate the use of D-Wave hardware for obtaining ground and electronically excited states across a variety of small molecular systems. This approach can be adapted for use by a vast majority of electronic structure methods currently implemented in conventional quantum-chemical packages. The results of this work will encourage further development of software such as qbsolv which has promising applications in emerging quantum information processing hardware and is able to address large and complex optimization problems intractable for classical computers.
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The possibility of using quantum computers for electronic structure calculations has opened up a promising avenue for computational chemistry. Towards this direction, numerous algorithmic advances have been made in the last five years. The potential
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Optimal flight gate assignment is a highly relevant optimization problem from airport management. Among others, an important goal is the minimization of the total transit time of the passengers. The corresponding objective function is quadratic in th
e binary decision variables encoding the flight-to-gate assignment. Hence, it is a quadratic assignment problem being hard to solve in general. In this work we investigate the solvability of this problem with a D-Wave quantum annealer. These machines are optimizers for quadratic unconstrained optimization problems (QUBO). Therefore the flight gate assignment problem seems to be well suited for these machines. We use real world data from a mid-sized German airport as well as simulation based data to extract typical instances small enough to be amenable to the D-Wave machine. In order to mitigate precision problems, we employ bin packing on the passenger numbers to reduce the precision requirements of the extracted instances. We find that, for the instances we investigated, the bin packing has little effect on the solution quality. Hence, we were able to solve small problem instances extracted from real data with the D-Wave 2000Q quantum annealer.
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