Related papers: M1 dipole strength from projected generator coordi…
Reliable theoretical predictions of nuclear dipole excitations are crucial for various nuclear applications, particularly in nuclear astrophysics. Calculations of radiative capture cross sections often rely on theoretical gamma strength…
A set of moderately deformed $s-d$ shell nuclei is employed for testing the reliability of the nuclear ground state wave functions which are obtained in the context of a BCS approach and offer a simultaneous consideration of deformation and…
Structures of $p$- and $sd$-shell nuclei are studied with the deformed-basis antisymmetrized molecular dynamics method using the Gogny D1S and Skyrme SLy7 forces as effective interactions. By the energy variation with a constraint, energy…
Microscopic calculations of the electromagnetic response of medium-mass nuclei are now feasible thanks to the availability of realistic nuclear interactions with accurate saturation and spectroscopic properties, and the development of…
We develop a new framework of the deformed quasiparticle-random-phase approximation (QRPA) where the Skyrme density functional and the density-dependent pairing functional are consistently treated. Numerical applications are carried out for…
We test the convergence of fast simulations based on the COmoving Lagrangian Acceleration (COLA) method for predictions of the matter power spectrum, specialising our analysis in the redshift range $1 \le z \le 1.65$, relevant to…
Investigating the solar magnetic field is crucial to understand the physical processes in the solar interior as well as their effects on the interplanetary environment. We introduce a novel method to predict the evolution of the solar…
The validation, verification, and uncertainty quantification of computationally expensive theoretical models of quantum many-body systems require the construction of fast and accurate emulators. In this work, we develop emulators for…
Neural network potentials (NNPs) enable large-scale molecular dynamics (MD) simulations of systems containing >10,000 atoms with the accuracy comparable to ab initio methods and play a crucial role in material studies. Although NNPs are…
Drip-line nuclei have very different properties from those of the valley of stability, as they are weakly bound and resonant. Therefore, the models devised for stable nuclei can no longer be applied therein. Hence, a new theoretical tool,…
The lowest quadrupole $\gamma$-vibrational $K^{\pi}=2^+$ states in axially deformed rare-earth (Nd, Sm, Gd, Dy, Er, Yb, Hf, W) and actinide (U) nuclei are systematically investigated within the separable random-phase-approximation (SRPA)…
Covariant density functional theory is used to analyze the evolution of low-lying M1 strength in superfluid deformed nuclei in the framework of the self-consistent Relativistic Quasiparticle Random Phase Approximation (RQRPA). In nuclei…
The $GW$ approximation has been recently gaining popularity among the method for simulating molecular core-level X-ray photoemission spectra. Traditionally, $GW$ core-level binding energies have been computed using either the cc-pV$n$Z or…
We study structure and direct decay of the Giant Monopole Resonance (GMR) at the RPA level using the Time-Dependent Energy Density Functional method in the linear response regime in a few doubly-magic nuclei. A proper treatment of the…
Highly accurate force fields are a mandatory requirement to generate predictive simulations. Here we present the path for the construction of machine learned molecular force fields by discussing the hierarchical pathway from generating the…
Using lightweight models as backbone networks in gaze estimation tasks often results in significant performance degradation. The main reason is that the number of feature channels in lightweight networks is usually small, which makes the…
We summarize our recent efforts to develop the Density Matrix Renormalization Group (DMRG) method into a practical truncation strategy for large-scale nuclear shell model calculations. Following an overview of the essential features of the…
Molecular orbitals based on the linear combination of Gaussian type orbitals are arguably the most employed discretization in quantum chemistry simulations, both on quantum and classical devices. To circumvent a potentially dense two-body…
We develop a provably energy stable discontinuous Galerkin spectral element method (DGSEM) approximation of the perfectly matched layer (PML) for the three and two space dimensional (3D and 2D) linear acoustic wave equations, in first order…
We present a new application of the Generator Coordinate Method (GCM) as an electronic structure method for strong electron correlation in molecular systems. We identify spin fluctuations as an important generator coordinate responsible for…