相关论文: Exact solution for low energy quantum anharmonic v…

We present a polynomial-time quantum algorithm for obtaining the energy spectrum of a physical system, i.e. the differences between the eigenvalues of the system's Hamiltonian, provided that the spectrum of interest contains at most a…

In this paper, we derive a variational integrator for certain highly oscillatory problems in mechanics. To do this, we take a new approach to the splitting of fast and slow potential forces: rather than splitting these forces at the level…

Variational quantum algorithms aim at harnessing the power of noisy intermediate-scale quantum computers, by using a classical optimizer to train a parameterized quantum circuit to solve tractable quantum problems. The variational quantum…

We study the original $\alpha$-Fermi-Pasta-Ulam (FPU) system with $N=16,32$ and $64$ masses connected by a nonlinear quadratic spring. Our approach is based on resonant wave-wave interaction theory, i.e. we assume that, in the weakly…

The long time effect of nonlinear perturbation to oscillatory linear systems can be characterized by the averaging method, and we consider first-order averaging for its simplest applicability to high-dimensional problems. Instead of the…

The Fermi-Pasta-Ulam $\alpha$-model of harmonic oscillators with cubic anharmonic interactions is studied from a statistical mechanical point of view. Systems of N= 32 to 128 oscillators appear to be large enough to suggest statistical…

Quantum phase estimation is the workhorse behind any quantum algorithm and a promising method for determining ground state energies of strongly correlated quantum systems. Low-cost quantum phase estimation techniques make use of circuits…

We investigate ballistic vibrational energy transport through optical phonon band in oligomeric chains in the presence of decoherence. An exact solution is obtained for the excitation density in the space-time representation in the…

Heat conduction in low-dimensional systems exhibits strong deviations from Fourier behavior due to anharmonicity and long-lived vibrational correlations, challenging conventional computational approaches. The…

We study the statistics and short-times dynamics of the classical and the quantum Fermi-Pasta-Ulam chain in thermal equilibrium. We analyze the distributions of single-particle configurations by integrating out the rest of the system. At…

We introduce a framework for the calculation of ground and excited state energies of bosonic systems suitable for near-term quantum devices and apply it to molecular vibrational anharmonic Hamiltonians. Our method supports generic reference…

We use coherent states as a time-dependent variational ansatz for a semiclassical treatment of the dynamics of anharmonic quantum oscillators. In this approach the square variance of the Hamiltonian within coherent states is of particular…

Molecular vibrations underpin important phenomena such as spectral properties, energy transfer, and molecular bonding. However, obtaining a detailed understanding of the vibrational structure of even small molecules is computationally…

The theory of stochastic processes impacts both physical and social sciences. At the molecular scale, stochastic dynamics is ubiquitous because of thermal fluctuations. The Fokker-Plank-Smoluchowski equation models the time evolution of the…

We study the problem of estimating frequency response functions of systems of coupled, classical harmonic oscillators using a quantum computer. The functional form of these response functions can be mapped to a corresponding eigenproblem of…

We present a numerical study of dynamical correlations (structure factors) of the long-range generalization of the Fermi-Pasta-Ulam oscillator chain, where the strength of the interaction between two lattice sites decays as a power $\alpha$…

We present a quantum eigenstate filtering algorithm based on quantum signal processing (QSP) and minimax polynomials. The algorithm allows us to efficiently prepare a target eigenstate of a given Hamiltonian, if we have access to an initial…

Quantum machine learning algorithms have emerged to be a promising alternative to their classical counterparts as they leverage the power of quantum computers. Such algorithms have been developed to solve problems like electronic structure…

We present quantum algorithms, for Hamiltonians of linear combinations of local unitary operators, for Hamiltonian matrix-vector products and for preconditioning with the inverse of shifted reduced Hamiltonian operator that contributes to…

As a step towards a more realistic modeling of vibrations in single-molecule devices, we investigate the effects of charge-dependent vibrational frequencies and anharmonic potentials on electronic transport. For weak phonon relaxation, we…