Related papers: Extracting molecular Hamiltonian structure from ti…
A particle-in-cell algorithm is derived with a canonical Poisson structure in the formalism of finite element exterior calculus. The resulting method belongs to the class of gauge-compatible splitting algorithms, which exactly preserve…
This work presents a tensorial approach to constructing data-driven reduced-order models corresponding to semi-discrete partial differential equations with canonical Hamiltonian structure. By expressing parameter-varying operators with…
Predicting optoelectronic properties of large-scale atomistic systems under realistic conditions is crucial for rational materials design, yet computationally prohibitive with first-principles simulations. Recent neural network models have…
In this work we intend to study a class of time-dependent quantum systems with non-Hermitian Hamiltonians, particularly those whose Hermitian counterpart are important for the comprehension of posed problems in quantum optics and quantum…
We present an efficient perturbative method to obtain both static and dynamic polarizabilities and hyperpolarizabilities of complex electronic systems. This approach is based on the solution of a frequency dependent Sternheimer equation,…
Optimal Identification (OI) is a recently developed procedure for extracting optimal information about quantum Hamiltonians from experimental data using shaped control fields to drive the system in such a manner that dynamical measurements…
We study the problem of Hamiltonian structure learning from real-time evolution: given the ability to apply $e^{-\mathrm{i} Ht}$ for an unknown local Hamiltonian $H = \sum_{a = 1}^m \lambda_a E_a$ on $n$ qubits, the goal is to recover $H$.…
Accurately learning the temporal behavior of dynamical systems requires models with well-chosen learning biases. Recent innovations embed the Hamiltonian and Lagrangian formalisms into neural networks and demonstrate a significant…
Hamiltonian systems with multiple timescales arise in molecular dynamics, classical mechanics, and theoretical physics. Long-time numerical integration of such systems requires resolving fast dynamics with very small time steps, which…
We consider the mapping of tight-binding electronic structure theory to a local spin Hamiltonian, based on the adiabatic approximation for spin degrees of freedom in itinerant-electron systems. Local spin Hamiltonians are introduced in…
Couplings of a system to other degrees of freedom (that is, environmental degrees of freedom) lead to energy dissipation when the number of environmental degrees of freedom is large enough. Here we discuss quantal treatments for such energy…
In this paper, we propose a novel method for extracting information from HTML tables with similar contents but with a different structure. We aim to integrate multiple HTML tables into a single table for retrieval of information containing…
We combine classical heuristics with partial shadow tomography to enable efficient protocols for extracting information from correlated ab initio electronic systems encoded on quantum devices. By proposing the use of a correlation energy…
We demonstrate a comparison of different multiplexing architectures based on quantum detector tomography. Using the purity of their measurement outcomes, we gain insight about the photon-number resolving power of the devices. Further, we…
We study the inverse problem of constructing an appropriate Hamiltonian from a physically reasonable set of orthogonal wave functions for a quantum spin system. Usually, we are given a local Hamiltonian and try to characterize the relevant…
We present a theoretical justification for a method of extracting of supplementary information for the phase retrieval procedure taken from diffraction of fs-pulses from X-ray Free Electron Laser facilities. The approach is based on…
With the fast development of quantum technology, the sizes of both digital and analog quantum systems increase drastically. In order to have better control and understanding of the quantum hardware, an important task is to characterize the…
Methods for experimental reconstruction of molecular frame (MF) photoionization dynamics, and related properties - specifically MF photoelectron angular distributions (PADs) and continuum density matrices - are outlined and discussed.…
Fourier Transform Interferometry (FTI) is an appealing Hyperspectral (HS) imaging modality for many applications demanding high spectral resolution, e.g., in fluorescence microscopy. However, the effective resolution of FTI is limited by…
The guiding center approximation represents a very powerful tool for analyzing and modeling a charged particle motion in strong magnetic fields. This approximation is based on conservation of the adiabatic invariant, magnetic moment.…