Related papers: The correlation discrete variable representation r…
Quantum resource theories (QRTs) provide a comprehensive and practical framework for the analysis of diverse quantum phenomena. A fundamental task within QRTs is the quantification of resources inherent in a given quantum state. In this…
The computation of the nuclear quantum dynamics of molecules is challenging, requiring both accuracy and efficiency to be applicable to systems of interest. Recently, theories have been developed for employing time-dependent basis functions…
We present a density matrix approach for computing global solutions of Hartree-Fock theory, based on semidefinite programming (SDP), that gives upper and lower bounds on the Hartree-Fock energy of quantum systems. Equality of the upper- and…
The time-dependent Hartree-Fock (TDHF) method is an approach to simulate the mean field dynamics of electrons within the assumption that the electrons move independently in their self-consistent average field and within the space of single…
Quantum dynamics simulations (QDSs) are one of the most highly anticipated applications of quantum computing. Quantum circuit depth for implementing Hamiltonian simulation algorithms is commonly time dependent so that long time dynamics…
We propose a new way of visualising the dynamics of iterative eigenvalue algorithms such as the QR algorithm, over the important special case of PSD (positive semi-definite) matrices. Many subtle and important properties of such algorithms…
Implicit Neural Representations (INRs) encode discrete signals using Multi-Layer Perceptrons (MLPs) with complex activation functions. While INRs achieve superior performance, they depend on full-precision number representation for accurate…
We present the development and implementation of the relativistic coupled cluster linear response theory (CC-LR) which allows the determination of molecular properties arising from time-dependent or time-independent electric, magnetic, or…
In this work, we design and analyze semi/fully-discrete virtual element approximations for the time-dependent Navier--Stokes-Cahn--Hilliard equations, modeling the dynamics of two-phase incompressible fluid flows with diffuse interfaces. A…
We propose an efficient logical layer-based reconciliation method for continuous-variable quantum key distribution (CVQKD) to extract binary information from correlated Gaussian variables. We demonstrate that by operating on the raw-data…
Quantum-dynamical full-dimensional (15D) calculations are reported for the protonated water dimer (H5O2+) using the multiconfiguration time-dependent Hartree (MCTDH) method. The dynamics is described by curvilinear coordinates. The…
The dynamics of physical systems that require high-dimensional representation can often be captured in a few meaningful degrees of freedom called collective variables (CVs). However, identifying CVs is challenging and constitutes a…
Zero-shot Composed Image Retrieval (ZS-CIR) enables image search using a reference image and a text prompt without requiring specialized text-image composition networks trained on large-scale paired data. However, current ZS-CIR approaches…
We construct a fully discrete numerical scheme that is linear, decoupled, and unconditionally energy stable, and analyze its optimal error estimates for the Cahn-Hilliard-Navier-Stokes equations. For time discretization, we employ the two…
We propose a framework for simulating the real-time dynamics of quantum field theories (QFTs) using continuous-variable quantum computing (CVQC). Focusing on ($1+1$)-dimensional $\varphi^4$ scalar field theory, the approach employs the…
We consider symmetry-projected Hartree--Fock trial wave functions in constrained-path Monte Carlo (CPMC) calculations. Previous CPMC calculations have mostly employed Hartree--Fock (HF) trial wave functions, restricted or unrestricted. The…
In this article we develop a Primitive Variable Recovery Scheme (PVRS) to solve any system of coupled differential conservative equations. This method obtains directly the primitive variables applying the chain rule to the time term of the…
Nowdays, modern microscopic approaches for fission are generally based on the framework of nuclear density functional theory (DFT), which has enabled a self-consistent treatment of both static and dynamic aspects of fission. The key issue…
How should we quantify the value of each training example when datasets are large, heterogeneous, and geometrically structured? Classical Data-Shapley answers in principle, but its O(n!) complexity and point-wise perspective are ill-suited…
Continuous-variable quantum key distribution (CV-QKD) enables two remote parties to establish information-theoretically secure keys and offers high practical feasibility due to its compatibility with mature coherent optical communication…