Related papers: Surrogate Models for Linear Response
We perform the calculation of nuclear matrix elements for the neutrinoless double beta decays under a Left-Right symmetric model mediated by light neutrino, and we adopt the spherical quasi-particle random-phase approximation (QRPA)…
The quasiparticle time blocking approximation (QTBA) is applied to describe E1 excitations in the even-even tin isotopes. Within the model pairing correlations, two-quasiparticle (2q), and 2q*phonon configurations are included. Thus the…
A fundamental limitation of various Equivalent Linearization Methods (ELMs) in nonlinear random vibration analysis is that they are approximate by their nature. A quantity of interest estimated from an ELM has no guarantee to be the same as…
The longitudinal response function $R(q,w)$\ of nuclear matter is calculated in a semiclassical quark model. The model has a many- body string-flip potential that confines quarks into hadrons and avoids color van der Waals forces. Molecular…
A surrogate-based topology optimisation algorithm for linear elastic structures under parametric loads and boundary conditions is proposed. Instead of learning the parametric solution of the state (and adjoint) problems or the optimisation…
We propose a self-validating scheme to calculate the unbiased responses of quantum many-body systems to external fields of arbibraty strength at any temperature. By switching on a specified field to a thermal pure quantum state of an…
We combine the thermal QRPA approach with the Skyrme energy density functional theory (Skyrme-TQRPA) for modelling the process of electron capture on nuclei in supernova environment. For a sample nucleus, $^{56}$Fe, the Skyrme-TQRPA…
This paper describes novel algorithms for the identification of (almost-)resonant behavior in scattering problems. Our methods, relying on rational approximation, aim at building surrogate models of what we call "field amplification",…
Collective nuclear excitations, like giant resonances, are sensitive to nuclear deformation, as evidenced by alterations in their excitation energies and transition strength distributions. A common theoretical framework to study these…
Estimating the rate of rare conformational changes in molecular systems is one of the goals of Molecular Dynamics simulations. In the past decades, a lot of progress has been done in data-based approaches towards this problem. In contrast,…
Surrogate modeling is a viable solution for applications involving repetitive evaluations of expensive computational fluid dynamics models, such as uncertainty quantification and inverse problems. This study proposes a multi-layer…
The particle-particle random phase approximation (pp-RPA) has been shown to be capable of describing double, Rydberg, and charge transfer excitations, for which the conventional time-dependent density functional theory (TDDFT) might not be…
The Modified Quasichemcial Model in the Distinguishable-Pair Approximation (MQMDPA) for manifold short-range orders in liquids has been successfully extended to multicomponent solutions. The extension is conducted by means of the…
Simulations of optical quantum systems are essential for the development of quantum technologies. However, these simulations are often computationally intensive, especially when repeated evaluations are required for data fitting, parameter…
The quantitative description of correlated electron materials remains a modern computational challenge. We demonstrate a numerical strategy to simulate correlated materials at the fully ab initio level beyond the solution of effective…
A nonlinear response theory is developed and applied to electrostatic interactions between spherical macroions, screened by surrounding microions, in charge-stabilized colloidal suspensions. The theory describes leading-order nonlinear…
Quantum machine learning (QML) presents potential for early industrial adoption, yet limited access to quantum hardware remains a significant bottleneck for deployment of QML solutions. This work explores the use of classical surrogates to…
A many body Hamiltonian involving the mean field for a projected spherical single particle basis, the pairing interactions for alike nucleons and the dipole-dipole proton-neutron interactions in the particle-hole ($ph$) and…
We explore the nuclear responses at intermediate energies, particularly in the spin longitudinal and spin transverse isovector channels, within the continuum random phase approximation framework. We also employ an extension of the standard…
Quantum simulation of molecular electronic structure is one of the most promising applications of quantum computing. However, achieving chemically accurate predictions for strongly correlated systems requires quantum phase estimation (QPE)…