Related papers: Portable GPU implementation of the WP-CCC ion-atom…
The rapid development of general-purpose computing on graphics processing units (GPGPU) is allowing the implementation of highly-parallelized Monte Carlo simulation chains for particle physics experiments. This technique is particularly…
Monte Carlo simulations of the transport of protons in human tissue have been deployed on graphics processing units (GPUs) with impressive results. To provide a more complete treatment of non-elastic nuclear interactions in these…
The field of plasma physics heavily relies on simulations to model various phenomena, such as instabilities, turbulence, and nonlinear behaviors that would otherwise be difficult to study from a purely theoretical approach. Simulations are…
The Coupled Cluster (CC) method is used to compute the electronic correlation energy in atoms and molecules and often leads to highly accurate results. However, due to its single-reference nature, standard CC in its projected form fails to…
The previously applied independent atom model (IAM) for highly charged ion-molecule collisions which implemented the suppression of multiple ionization and capture on the basis of geometric overlaps of cross-sectional areas representing…
Real-time data processing is one of the central processes of particle physics experiments which require large computing resources. The LHCb (Large Hadron Collider beauty) experiment will be upgraded to cope with a particle bunch collision…
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…
For the self-consistent description of various plasma sources operated in the low-pressure (nonlocal, kinetic) regime, the Particle-In-Cell simulation approach, combined with the Monte Carlo treatment of collision processes (PIC/MCC), has…
A fifth-order implicit Runge-Kutta method and two fourth-order exponential integration methods equipped with Krylov subspace approximations were implemented for the GPU and paired with the analytical chemical kinetic Jacobian software…
A model for the description of proton collisions from molecules composed of atoms such as hydrogen, carbon, nitrogen, oxygen and phosphorus (H, C, N, O, P) was recently extended to treat collisions with multiply charged ions with a focus on…
We utilize the Open Accelerator (OpenACC) approach for graphics processing unit (GPU) accelerated particle-resolved thermal lattice Boltzmann (LB) simulation. We adopt the momentum-exchange method to calculate fluid-particle interactions to…
It is now a noticeable trend in High Performance Computing that the systems are becoming more and more heterogeneous. Compute nodes with a host CPU are being equipped with accelerators, the latter being a GPU or FPGA cards or both. In many…
Incremental Potential Contact (IPC) is a widely used, robust, and accurate method for simulating complex frictional contact behaviors. However, achieving high efficiency remains a major challenge, particularly as material stiffness…
An increasingly large number of HPC systems rely on heterogeneous architectures combining traditional multi-core CPUs with power efficient accelerators. Designing efficient applications for these systems has been troublesome in the past as…
The Random Phase Approximation (RPA) for correlation energy in the grid-based projector augmented wave (gpaw) code is accelerated by porting to the Graphics Processing Unit (GPU) architecture. The acceleration is achieved by grouping…
Radiative transfer modelling is part of many astrophysical simulations and is used to make synthetic observations and to assist analysis of observations. We concentrate on the modelling of the radio lines emitted by the interstellar medium.…
Particle-in-Cell (PIC) Monte Carlo (MC) simulations are central to plasma physics but face increasing challenges on heterogeneous HPC systems due to excessive data movement, synchronization overheads, and inefficient utilization of multiple…
High-fidelity simulations of unsteady fluid flow are now possible with advancements in high-performance computing hardware and software frameworks. Since computational fluid dynamics (CFD) computations are dominated by linear algebraic…
Event generators simulate particle interactions using Monte Carlo techniques, providing the primary connection between experiment and theory in experimental high energy physics. These software packages, which are the first step in the…
The end of Dennard scaling and the slowdown of Moore's law led to a shift in technology trends toward parallel architectures, particularly in HPC systems. To continue providing performance benefits, HPC should embrace Approximate Computing…