Related papers: PAMOP: Petascale Atomic, Molecular and Optical Col…
Deep learning has substantially advanced pansharpening, achieving impressive fusion quality. However, a prevalent limitation is that conventional deep learning models, which typically rely on training datasets, often exhibit suboptimal…
Electron quantum path interferences in strongly laser-driven aligned molecules and their dependence on the molecular alignment is an essential open problem in strong-field molecular physics. Here, we demonstrate an approach which provides…
Developing complex, reliable advanced accelerators requires a coordinated, extensible, and comprehensive approach in modeling, from source to the end of beam lifetime. We present highlights in Exascale Computing to scale accelerator…
We consider three recent large-scale calculations for the radiative and electron-impact excitation data of N IV, carried out with different methods and codes. The scattering calculations employed the relativistic Dirac $R$-matrix (DARC)…
Mapping is essential in robotics and autonomous systems because it provides the spatial foundation for path planning. Efficient mapping enables planning algorithms to generate reliable paths while ensuring safety and adapting in real time…
A highly efficient, fully parallelized, six-dimensional tracking model for simulating interactions of colliding hadron beams in high energy ring colliders and simulating schemes for mitigating their effects is described. The model uses the…
Nowadays, high performance computing is becoming more and more important in different fields research and industry, such as medical imaging and diagnostics, mathematics as well as oil exploration. It refers to intensive computing in some…
Several challenging problem in clustering, partitioning and imaging have traditionally been solved using the "spectral technique". These problems include the normalized cut problem, the graph expander ratio problem, the Cheeger constant…
To facilitate rational molecular and materials design, this research proposes an integrated computational framework that combines stochastic simulation, ab initio quantum chemistry, and molecular docking. The suggested workflow allows…
This paper addresses the three following questions. (i) How the structures of group and of chain of groups enter nuclear, atomic and molecular spectroscopy? (ii) How these structures can be exploited, in a quantum- mechanical framework, in…
The ATLAS experiment at CERN measures energy of proton-proton (p-p) collisions with a repetition frequency of 40 MHz at the Large Hadron Collider (LHC). The readout electronics of liquid-argon (LAr) calorimeters are being prepared for high…
We investigate the role of hyperfine structure in resonant-dipole interactions between two atoms cotrapped in an optical tweezer. Two-body loss rates from light-assisted collisions (LACs) are measured across the $^{87}$Rb hyperfine spectrum…
A semicalssical method based on surface-hopping techniques is developed to model the dynamics of radiative association with electronic transitions in arbitrary polyatomic systems. It can be proven that our method is an extension of the…
This chapter is devoted to the computation of equilibrium (thermodynamic) properties of quantum systems. In particular, we will be interested in the situation where the interaction between particles is so strong that it cannot be treated as…
We present parallel and sequential dense QR factorization algorithms for tall and skinny matrices and general rectangular matrices that both minimize communication, and are as stable as Householder QR. The sequential and parallel algorithms…
Reaction-diffusion systems are used to represent many biological and physical phenomena. They model the random motion of particles (diffusion) and interactions between them (reactions). Such systems can be modelled at multiple scales with…
The effect of autoionizing resonances in atomic systems and processes is reviewed. Theoretical framework for treating resonances in the coupled channel approximation using the R-matrix method, as well as approximations related to plasma…
The random phase approximation (RPA) has emerged as a prominent first-principles method in material science, particularly to study the adsorption and chemisorption of small molecules on surfaces. However, its widespread application is…
Particle in Cell (PIC) simulations are a widely used tool for the investigation of both laser- and beam-driven plasma acceleration. It is a known issue that the beam quality can be artificially degraded by numerical Cherenkov radiation…
Modifications of CARLOMAT, a program for automatic computation of the lowest order cross sections of multiparticle reactions, that include an abridgement of the phase space integration routine, an interface to parton density functions,…