相关论文: Compact sum-of-products form of the molecular elec…

We propose a tensor-network (TN) approach for solving classical optimization problems that is inspired by spectral filtering and sampling on quantum states. We first shift and scale an Ising Hamiltonian of the cost function so that all…

We propose introducing an extended Hubbard Hamiltonian derived via the ab initio downfolding method, which was originally formulated for periodic materials, towards efficient quantum computing of molecular electronic structure calculations.…

We adapt the compression algorithm of Weinstein, Auerbach, and Chandra from eigenvectors of spin lattice Hamiltonians to eigenvectors of light-front field-theoretic Hamiltonians. The latter are approximated by the standard discrete…

We present a new math-physics modeling approach, called canonical quantization with numerical mode-decomposition, for capturing the physics of how incoming photons interact with finite-sized dispersive media, which is not describable by the…

Extracting the Hamiltonian of interacting quantum-information processing systems is a keystone problem in the realization of complex phenomena and large-scale quantum computers. The remarkable growth of the field increasingly requires…

Classical polarizable approaches have become the gold standard for simulating complex systems and processes in the condensed phase. These methods describe intrinsically dissipative polarizable media, requiring a formal definition within the…

This paper proposes a channel estimation method for Multiple-Input Multiple-Output (MIMO) systems based on Canonical Polyadic (CP) decomposition applied to a mode-factorized tensor representation of the channel. The proposed approach…

The well-conditioned multi-product formula (MPF), proposed by [Low, Kliuchnikov, and Wiebe, 2019], is a simple high-order time-independent Hamiltonian simulation algorithm that implements a linear combination of standard product formulas of…

Computational chemistry at the atomic level has largely branched into two major fields, one based on quantum mechanics and the other on molecular mechanics using classical force fields. Because of high computational costs, quantum…

The canonical polyadic decomposition (CPD) is a compact decomposition which expresses a tensor as a sum of its rank-1 components. A common step in the computation of a CPD is computing a generalized eigenvalue decomposition (GEVD) of the…

We present a quantum electronic embedding method derived from the exact factorization approach to calculate static properties of a many-electron system. The method is exact in principle but the practical power lies in utilizing input from a…

We give a geometric method for determining the cohomology groups of a polyhedral product under suitable freeness conditions or with coefficients taken in a field. This is done by considering first the special case for which the pairs of…

This work provides a rigorous and self-contained introduction to numerical methods for Hamiltonian simulation in quantum computing, with a focus on high-order product formulas for efficiently approximating the time evolution of quantum…

Canonical Polyadic (or CANDECOMP/PARAFAC, CP) decompositions (CPD) are widely applied to analyze high order tensors. Existing CPD methods use alternating least square (ALS) iterations and hence need to unfold tensors to each of the $N$…

Light-matter coupled Hamiltonians are central to cavity materials engineering and polaritonic chemistry, but are challenging to simulate with classical hardware due to the scaling of the Hilbert space with the number of quantum photon modes…

In this article, we discuss how a kind of hybrid computation, which employs symbolic, numeric, classic, and quantum algorithms, allows us to conduct Hartree-Fock electronic structure computation of molecules. In the proposed algorithm, we…

Computationally efficient, structure-preserving reduced-order methods are developed for the Korteweg de Vries (KdV) equations in Hamiltonian form. The KdV equation is discretized in space by finite differences. The resulting skew-gradient…

This paper investigates the dynamics of spin-2 Bose-Einstein condensates (BECs) with rotation and spin-orbit coupling (SOC). In order to better simulate the dynamics, we present an efficient high-order compact splitting Fourier spectral…

We propose a hybrid quantum-classical algorithm for approximating the ground state and ground state energy of a Hamiltonian. Once the Ansatz has been decided, the quantum part of the algorithm involves the calculation of two overlap…

Path integral-based simulation methodologies play a crucial role for the investigation of nuclear quantum effects by means of computer simulations. However, these techniques are significantly more demanding than corresponding classical…