Related papers: Constructing approximate shell-model wavefunctions…
The field of model order reduction (MOR) is growing in importance due to its ability to extract the key insights from complex simulations while discarding computationally burdensome and superfluous information. We provide an overview of MOR…
A parallel implementation of an eigensolver designed for electronic structure calculations is presented. The method is applicable to computational tasks that solve a sequence of eigenvalue problems where the solution for a particular…
Quantum Monte Carlo simulations are powerful and versatile tools for the quantum many-body problem. In addition to the usual calculations of energies and eigenstate observables, quantum Monte Carlo simulations can in principle be used to…
In electromagnetism, the model of Maxwell's equations yields accurate and trustworthy predictions. Numerical solvers can reach electromagnetic solutions far beyond the set of analytical closed-form solutions; this is crucial in…
In this work, we present the systematic study of $2\nu$ECEC process in the $^{78}$Kr using large-scale shell-model calculations with the GWBXG effective interaction. We first validate the efficiency of the utilized interaction by comparing…
We propose an adaptive planewave method for eigenvalue problems in electronic structure calculations. The method combines a priori convergence rates and accurate a posteriori error estimates into an effective way of updating the energy…
The project, aimed at the theoretical support of experiments at modern and future accelerators -- TEVATRON, LHC, electron Linear Colliders (TESLA, NLC, CLIC) and muon factories, is presented. Within this project a four-level computer system…
A method for solving the shell-model eigenproblem in a severely truncated space, spanned by properly selected correlated states obtained by partitioning the full configuration space, is proposed. The method describes in a practically exact…
Recently, task-based programming models have emerged as a prominent alternative among shared-memory parallel programming paradigms. Inherently asynchronous, these models provide native support for dynamic load balancing and incorporate data…
We consider the problem of parameter estimation in a high-dimensional generalized linear model. Spectral methods obtained via the principal eigenvector of a suitable data-dependent matrix provide a simple yet surprisingly effective…
Virtual garment simulation has become increasingly important with applications in garment design and virtual try-on. However, reproducing garments faithfully remains a cumbersome process. We propose an end-to-end method for estimating…
In modeling quantum systems or wave phenomena, one is often interested in identifying eigenstates that approximately carry a specified property; scattering states approximately align with incoming and outgoing traveling waves, for instance,…
Modeling of kinetic plasmas using electromagnetic particle in cell methods (EM-PIC) is a problem that is well worn, in that methods developed have been used extensively both understanding physics and exploiting them for device design.…
The paper proposes a method to obtain the optimal basis set for solving the self consistent field (SCF) equations for large atomic systems in order to calculate the energy barriers in tunneling structures, with higher accuracy and speed.…
The Continuum Shell Model is an old but recently revived method that traverses the boundary between nuclear many-body structure and nuclear reactions. The method is based on the non-Hermitian energy-dependent effective Hamiltonian. The…
We suggest a method for calculating scattering phase shifts and energies and widths of resonances which utilizes only eigenenergies obtained in variational calculations with oscillator basis and their dependence on oscillator basis spacing…
For the first time, the calculation of the nuclear matrix element of the double-$\beta$ decay of $^{100}$Mo, with and without the emission of two neutrinos, is performed in the framework of the nuclear shell model. This task is accomplished…
This paper presents a method for computing eigenvalues and eigenvectors for some types of nonlinear eigenvalue problems. The main idea is to approximate the functions involved in the eigenvalue problem by rational functions and then apply a…
While homomorphic encryption (HE) provides strong privacy protection, its high computational cost has restricted its application to simple tasks. Recently, hyperdimensional computing (HDC) applied to HE has shown promising performance for…
In this paper, we develop a framework to construct energy-preserving methods for multi-components Hamiltonian systems, combining the exponential integrator and the partitioned averaged vector field method. This leads to numerical schemes…