Related papers: A Modular and Extensible Software Architecture for…
Modular programming is a development paradigm that emphasizes self-contained, flexible, and independent pieces of functionality. This practice allows new features to be seamlessly added when desired, and unwanted features to be removed,…
We equip dynamic geometry software (DGS) with a user-friendly method that enables massively parallel calculations on the graphics processing unit (GPU). This interplay of DGS and GPU opens up various applications in education and…
The processor accelerators are effective because they are working not (completely) on principles of stored program computers. They use some kind of parallelism, and it is rather hard to program them effectively: a parallel architecture by…
We summarize the main results from MODEST-1, the first workshop on MOdeling DEnse STellar systems. Our goal is to go beyond traditional population synthesis models, by introducing dynamical interactions between single stars, binaries, and…
A second-order accurate divergence-conserving hybrid particle-in-cell code Maximus has been developed for microscopic modeling of collisionless plasmas. The main specifics of the code include a constrained transport algorithm for exact…
Owing to the computational complexity of electronic structure algorithms running on classical digital computers, the range of molecular systems amenable to simulation remains tightly circumscribed even after many decades of work. Quantum…
Molecular Dynamics (MD) simulations play a central role in physics-driven drug discovery. MD applications often use the Particle Mesh Ewald (PME) algorithm to accelerate electrostatic force computations, but efficient parallelization has…
The difficulty of developing reliable parallel software is generating interest in deterministic environments, where a given program and input can yield only one possible result. Languages or type systems can enforce determinism in new code,…
The need to develop systems that exploit multi and many-core architectures to reduce wasteful heat generation is of utmost importance in compute-intensive applications. We propose an energy-conscious approach to multicore scheduling known…
In this paper, we report a reimplementation of the core algorithms of relativistic coupled cluster theory aimed at modern heterogeneous high-performance computational infrastructures. The code is designed for efficient parallel execution on…
The evolution of molecular dynamics (MD) simulations has been intimately linked to that of computing hardware. For decades following the creation of MD, simulations have improved with computing power along the three principal dimensions of…
The scale of large pre-trained models (PTMs) poses significant challenges in adapting to downstream tasks due to the high optimization overhead and storage costs associated with full-parameter fine-tuning. To address this, many studies…
An important aspect of many particle accelerators is the constant evolution and frequent configuration changes that are needed to perform the experiments they are designed for. This often leads to the design of configurable software that…
Approximating partial differential equations for extensive industrial and scientific applications requires leveraging the power of modern high-performance computing. In large-scale parallel computations, the geometrical discretisation…
Metamaterials are artificial materials designed to exhibit effective material parameters that go beyond those found in nature. Composed of unit cells with rich designability that are assembled into multiscale systems, they hold great…
Reachable set computation is an important technique for the verification of safety properties of dynamical systems. In this paper, we investigate reachable set computation for discrete nonlinear systems based on parallelotope bundles. The…
In recent years generative design techniques have become firmly established in numerous applied fields, especially in engineering. These methods are demonstrating intensive growth owing to promising outlook. However, existing approaches are…
On-chip mode-division multiplexing (MDM) has been emerging as a promising technology to further enhance the link capacity and bandwidth of data communications with multiple mode channels. Both mode converters and mode exchangers are…
Microstructures forming during ternary eutectic directional solidification processes have significant influence on the macroscopic mechanical properties of metal alloys. For a realistic simulation, we use the well established…
Modelling has become a third distinct line of scientific enquiry, alongside experiments and theory. Molecular dynamics (MD) simulations serve to interpret, predict and guide experiments and to test and develop theories. A major limiting…