Related papers: Constructing approximate shell-model wavefunctions…
Constructing fast and accurate surrogate models is a key ingredient for making robust predictions in many topics. We introduce a new model, the Multiparameter Eigenvalue Problem (MEP) emulator. The new method connects emulators and can make…
A new code for nuclear shell-model calculations, "KSHELL", is developed. It aims at carrying out both massively parallel computation and single-node computation in the same manner. We solve the Schr\"{o}dinger's equation in the $M$-scheme…
In Density Functional Theory simulations based on the LAPW method, each self-consistent field cycle comprises dozens of large dense generalized eigenproblems. In contrast to real-space methods, eigenpairs solving for problems at distinct…
The superheavy nuclei push the periodic table of the elements and the chart of the nuclides to their limits, providing a unique laboratory for studies of the electron-nucleus interactions. The most important weak decay mode in known…
In this work, we present a parallel, fully-distributed finite element numerical framework to simulate the low-frequency electromagnetic response of superconducting devices, which allows to efficiently exploit HPC platforms. We select the…
Subspace methods are powerful, noise-resilient methods that can effectively prepare ground states on quantum computers. The challenge is to get a subspace with a small condition number that spans the states of interest using minimal quantum…
Studying the optoelectronic structure of materials can require the computation of several thousands of the smallest positive eigenpairs of a pseudo-hermitian Hamiltonian. Iterative eigensolvers may be preferred over direct methods for this…
We propose a new variational Monte Carlo (VMC) approach based on the Krylov subspace for large-scale shell-model calculations. A random walker in the VMC is formulated with the $M$-scheme representation, and samples a small number of…
We propose a scheme to construct predictive models for Hamiltonian matrices in atomic orbital representation from ab initio data as a function of atomic and bond environments. The scheme goes beyond conventional tight binding descriptions…
A longstanding computational challenge is the accurate simulation of many-body particle systems. Especially for deriving key characteristics of high-impact but complex systems such as battery materials and high entropy alloys (HEA). While…
Continual learning aims to allow models to learn new tasks without forgetting what has been learned before. This work introduces Elastic Variational Continual Learning with Weight Consolidation (EVCL), a novel hybrid model that integrates…
Structural survival of offshore structures is crucial for the growing marine economy. Calculating the added mass, radiation damping, and excitation coefficients to quantify wave loads with the traditional boundary element method (BEM)…
In this work we present and evaluate an implementation of the purify-shift-and-project method [J. Chem. Phys. 128, 176101 (2008)] for linear scaling computation of multiple eigenvectors around the homo-lumo gap of the Fock/Kohn-Sham matrix.…
Applications related to artificial intelligence, machine learning, and system identification simulations essentially use eigenvectors. Calculating eigenvectors for very large matrices using conventional methods is compute-intensive and…
We calculate analytically the geometric phases that the eigenvectors of a parametric dissipative two-state system described by a complex symmetric Hamiltonian pick up when an exceptional point (EP) is encircled. An EP is a parameter setting…
Ensembles of variational data assimilations (EDA) require solving systems of linear equations with iterative methods. The solution process can be accelerated using a limited memory preconditioner constructed with approximations of the…
We endow a recently devised algorithm for generating exact eigensolutions of large matrices with an importance sampling, which is in control of the extent and accuracy of the truncation of their dimensions. We made several tests on typical…
The aim of this work is to present an overview of the derivation of the effective shell-model Hamiltonian and decay operators within many-body perturbation theory, and to show the results of selected shell-model studies based on their…
Context. The study of linear waves and instabilities is necessary to understand the physical evolution of an atmosphere, and can provide physical interpretation of the complex flows found in simulations performed using Global Circulation…
Eigenvalue analysis is widely used for linear instability analysis in both external and internal aerodynamics. It typically involves finding the steady state, linearizing around it to obtain the Jacobian, and then solving for its…