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We present an alternative GPU acceleration for plane waves pseudopotentials electronic structure codes designed for systems that have small unit cells but require a large number of k points to sample the Brillouin zone as happens, for…
The paper presents the aspect of use of modern graphics accelerators supporting CUDA technology for high-performance computing in the field of linear algebra. Fully programmable graphic cards have been available for several years for both…
The performance potential for simulating quantum electron transport on graphical processing units (GPUs) is studied. Using graphene ribbons of realistic sizes as an example it is shown that GPUs provide significant speed-ups in comparison…
Many-body perturbation theory is a powerful method to simulate electronic excitations in molecules and materials starting from the output of density functional theory calculations. By implementing the theory efficiently so as to run at…
As a first approximation beyond linearity, the nonlinear Schr\"odinger equation (NLSE) reliably describes a broad class of physical systems. Though numerical solutions of this model are well-established, these methods can be computationally…
The compute efficiency of Monte-Carlo event generators for the Large Hadron Collider is expected to become a major bottleneck for simulations in the high-luminosity phase. Aiming at the development of a full-fledged generator for modern…
An efficient numerical algorithm to evaluate one-loop amplitudes using tensor integrals is presented. In particular, it is shown by explicit calculations that for ordered QCD amplitudes with a number of external legs up to 10, its…
We consider Monte Carlo simulations of classical spin models of statistical mechanics using the massively parallel architecture provided by graphics processing units (GPUs). We discuss simulations of models with discrete and continuous…
This paper discusses the potential of graphics processing units (GPUs) in high-dimensional optimization problems. A single GPU card with hundreds of arithmetic cores can be inserted in a personal computer and dramatically accelerates many…
We introduce GRiD: a GPU-accelerated library for computing rigid body dynamics with analytical gradients. GRiD was designed to accelerate the nonlinear trajectory optimization subproblem used in state-of-the-art robotic planning, control,…
In recent years graphical processing units (GPUs) have become a powerful tool in scientific computing. Their potential to speed up highly parallel applications brings the power of high performance computing to a wider range of users.…
In the next decade, the demands for computing in large scientific experiments are expected to grow tremendously. During the same time period, CPU performance increases will be limited. At the CERN Large Hadron Collider (LHC), these two…
This study presents a reconstruction of the Gaussian Beam Tracing solution using CUDA, with a particular focus on the utilisation of GPU acceleration as a means of overcoming the performance limitations of traditional CPU algorithms in…
To assess how future progress in gravitational microlensing computation at high optical depth will rely on both hardware and software solutions, we compare a direct inverse ray-shooting code implemented on a graphics processing unit (GPU)…
Neural Radiance Fields (NeRF) enables 3D scene reconstruction from several 2D images but incurs high rendering latency via its point-sampling design. 3D Gaussian Splatting (3DGS) improves on NeRF with explicit scene representation and an…
We compute the radiative corrections to the four-point amplitude $g+g \rightarrow A+A$ in massless Quantum Chromodynamics (QCD) up to order $a_s^4$ in perturbation theory. We used the effective field theory that describes the coupling of…
This paper describes some applications of GPU acceleration in ab initio nuclear structure calculations. Specifically, we discuss GPU acceleration of the software package MFDn, a parallel nuclear structure eigensolver. We modify the matrix…
Graph representation is a powerful abstraction of real-world objects and relations. Computing the Graph Edit Distance (GED) between graphs is critical in domains such as bioinformatics, machine learning, and pattern recognition. GED…
The conservative Post-Newtonian (PN) Hamiltonian formulation of spinning compact binaries has six integrals of motion including the total energy, the total angular momentum and the constant unit lengths of spins. The manifold correction…
Effective Hamiltonian calculations for large quantum systems can be both analytically intractable and numerically expensive using standard techniques. In this manuscript, we present numerical techniques inspired by Nonperturbative…