ACCELERATED MOLECULAR DYNAMICS SIMULATION METHOD ON A QUANTUM-CLASSICAL HYBRID COMPUTING SYSTEM

    公开(公告)号:US20210233617A1

    公开(公告)日:2021-07-29

    申请号:US17162566

    申请日:2021-01-29

    Applicant: IONQ, INC.

    Abstract: A method of performing computation using a hybrid quantum-classical computing system comprising a classical computer and a quantum processor includes computing, by use of a classical computer, short-range inter-particle interaction energies and self-energies of a group of interacting particles, transforming the quantum processor from an initial state to a charge-position encoded state, applying Quantum Fourier transformation to the quantum processor, measuring an estimated amplitude of the Fourier transformed superposition state on the quantum processor, computing long-range inter-particle interaction energies based on the measured estimated amplitude of the Fourier transformed superposition state, and computing and outputting a sum of the short-range inter-particle interaction energies, the self-energies of the system, and the long-range inter-particle interaction energies as a total inter-particle interaction energies of the system.

    ACCELERATED MOLECULAR DYNAMICS SIMULATION METHOD ON A COMPUTING SYSTEM

    公开(公告)号:US20220198105A1

    公开(公告)日:2022-06-23

    申请号:US17531366

    申请日:2021-11-19

    Abstract: A method of performing a computational process includes transforming, a first register of a quantum processor to a charge encoded state in which charges of interacting particles to be simulated are encoded, transforming a second register of the quantum processor to a position encoded state in which positions of the interacting particles are encoded, performing a first phase shift operation, including shifting a phase of the first and second registers by kinetic energies of the interacting particles, performing a second phase shift operation, including shifting the phase of the first and second registers by pair-wise Coulomb potential energies of the interacting particles, measuring the phase of the first and second registers, transmitting the measured phase of the first and second registers to a classical computer, and the measured phase including a sum of the kinetic energies and the pair-wise Coulomb potential energies of the interacting particles.

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