Related papers: PAMOP: Petascale Atomic, Molecular and Optical Col…
An efficient parallelization approach to simulate optical properties of ensembles of quantum emitters in realistic electromagnetic environments is considered. It relies on balancing computing load of utilized processors and is built into…
Numerical simulations of relativistic plasmas have become more feasible, popular, and crucial for various astrophysical sources with the availability of computational resources. The necessity for high-accuracy particle dynamics is…
We have investigated plasma-surface interactions with molecular dynamics (MD) simulations. It, however, is high cost computation and is limited to simulations for materials of nanometer order. In order to overcome the limitation, a…
Techniques for producing cold and ultracold molecules are enabling the study of chemical reactions and scattering at the quantum scattering limit, with only a few partial waves contributing to the incident channel, leading to the…
We present a new parton model approach for nuclear collisions at RHIC energies (and beyond). It is a selfconsistent treatment, using the same formalism for calculating cross sections like the total and the inelastic one and, on the other…
The primary use of technical computing in the oil and gas industries is for seismic imaging of the earth's subsurface, driven by the business need for making well-informed drilling decisions during petroleum exploration and production.…
In this chapter we will argue that studying such multi-scale multi-science systems gives rise to inherently hybrid models containing many different algorithms best serviced by different types of computing environments (ranging from…
Collision detection of a large number N of particles can be challenging. Directly testing N particles for collision among each other leads to N 2 queries. Especially in scenarios, where fast, densely packed particles interact, challenges…
We introduce the pCI software package for high-precision atomic structure calculations. The standard method of calculation is based on the configuration interaction (CI) method to describe valence correlations, but can be extended to attain…
To investigate the completeness of coupled channel (CC) Breit-Pauli R-Matrix (BPRM) calculations for opacities, we employ the relativistic distorted wave (RDW) method to complement (``top-up'') and compare the BPRM photoionization cross…
Algorithms based on the particle flow approach are becoming increasingly utilized in collider experiments due to their superior jet energy and missing energy resolution compared to the traditional calorimeter-based measurements. Such…
Laser plasma accelerators have the potential to reduce the size of future linacs for high energy physics by more than an order of magnitude, due to their high gradient. Research is in progress at current facilities, including the BELLA…
Computational chemistry allows researchers to experiment in sillico: by running a computer simulations of a biological or chemical processes of interest. Molecular dynamics with molecular mechanics model of interactions simulates N-body…
We present a computational approach to the outcoupling in a simple one-dimensional atom laser model, the objective being to circumvent mathematical difficulties arising from the breakdown of the Born and Markov approximations. The approach…
Many sophisticated computer models have been developed to understand the behaviour of particle accelerators. Even these complex models often do not describe the measured data. Interactions of the beam with external fields, other particles…
This paper presents a new method, based on the well-known method of moments (MoM), for the numerical electromagnetic analysis of scattering and radiation from metallic or dielectric structures, or both structure types in the same…
We calculate pseudorapidity ($\eta$) asymmetry in $pA$ and $dA$ collisions in a pQCD-improved parton model. With the calculations tuned to describe existing spectra from $pp$ collisions and asymmetric systems at midrapidity and large…
Neutral atom quantum computing's great scaling potential has resulted in it emerging as a popular modality in recent years. For state preparation, atoms are loaded stochastically and have to be detected and rearranged at runtime to create a…
Spectroscopy is an essential tool in understanding and manipulating quantum systems, such as atoms and molecules. The model describing spectroscopy includes a multipole-field interaction, which leads to established spectroscopic selection…
The one-dimensional configuration coordinate model (1D-CCM) is widely used for the analysis of photoluminescence in molecules and doped solids, and relies on a linear combination of the equilibrium nuclear configurations of ground and…