相关论文: Implementation of the H-$\phi$ formulation in COMS…
Simulating molecular systems on quantum computers requires efficient mappings from Fermionic operators to qubit operators. Traditional mappings such as Jordan-Wigner or Bravyi-Kitaev often produce high-weight Pauli terms, increasing circuit…
Boundary integral equations lead to dense system matrices when discretized, yet they are data-sparse. Using the $\mathcal{H}$-matrix format, this sparsity is exploited to achieve $\mathcal{O}(N\log N)$ complexity for storage and…
Modelling high temperature superconductor (HTS) motors remains challenging mainly due to the high aspect ratio of these conductors but also because of the properties of the magnetic materials. This paper presents a 2D time dependent model…
We describe quantum circuits with only $\widetilde{\cal O}(N)$ Toffoli complexity that block encode the spectra of quantum chemistry Hamiltonians in a basis of $N$ arbitrary (e.g., molecular) orbitals. With ${\cal O}(\lambda / \epsilon)$…
In an era where scientific experimentation is often costly, multi-fidelity emulation provides a powerful tool for predictive scientific computing. While there has been notable work on multi-fidelity modeling, existing models do not…
Here we describe an approach for simulating electronic structure on quantum computers with significantly lower asymptotic complexity than prior work. The approach uses a real-space first-quantised representation of the molecular Hamiltonian…
Efficient simulation of quantum dynamics with time-dependent Hamiltonians is important not only for time-varying systems but also for time-independent Hamiltonians in the interaction picture. Such simulations are more challenging than their…
We develop a fast solver for the spectral element method (SEM) applied to the two-sided fractional diffusion equation on uniform, geometric and graded meshes. By approximating the singular kernel with a degenerate kernel, we construct a…
Diffusion of interstitial alloying elements like H, O, C, and N in metals and their continuous relocation and interactions with their microstructures have crucial influences on metals properties. However, besides limitations in experimental…
This article proposes a formalism which unifies Hamiltonian simulation techniques from different fields. This formalism leads to a competitive method to construct the Hamiltonian simulation with a comprehensible, simple-to-implement circuit…
We present new formulae for the matrix elements of one-body and two-body physical operators in compact forms, which are applicable to arbitrary Hartree-Fock-Bogoliubov wave functions, including those for multi-quasiparticle excitations. The…
We propose a framework for optimization of the chemical composition of multinary compounds with the aid of machine learning. The scheme is based on first-principles calculation using the Korringa-Kohn-Rostoker method and the coherent…
We compute the correlation functions for antiferromagnetic and d-wave superconducting fermion bilinears in a generalized mean field type approximation for the Hubbard model. For high temperature our explicit expressions show that…
Simulations carried out with COMSOL software in order to study the electrical resistivity of rectangular samples are reported. The comparison of the results with the four-probe method allows to understand the meaning of the geometric factor…
We propose a new framework of Hessian-free force-gradient integrators that do not require the analytical expression of the force-gradient term based on the Hessian of the potential. Due to that the new class of decomposition algorithms for…
Exploring low-cost applications is paramount to creating value in early fault-tolerant quantum computers. Here we optimize both gate and qubit counts of recent algorithms for simulating the Fermi-Hubbard model. We further devise and compile…
Donor-based quantum devices in silicon are attractive platforms for universal quantum computing and analog quantum simulations. The nearly-atomic precision in dopant placement promises great control over the quantum properties of these…
Silicon quantum computing has the potential to revolutionize technology with capabilities to solve real-life problems that are computationally complex or even intractable for modern computers [1] by offering sufficient high quality qubits…
We introduce an automated, flexible framework (aiida-hubbard) to self-consistently calculate Hubbard $U$ and $V$ parameters from first-principles. By leveraging density-functional perturbation theory, the computation of the Hubbard…
We propose an efficient algorithmic framework for time domain circuit simulation using exponential integrator. This work addresses several critical issues exposed by previous matrix exponential based circuit simulation research, and makes…