Related papers: M\`imir: A real-time interactive visualization lib…
We present the GPU calculation with the common unified device architecture (CUDA) for the Wolff single-cluster algorithm of the Ising model. Proposing an algorithm for a quasi-block synchronization, we realize the Wolff single-cluster Monte…
Molecular visualization software has long supported research and education in chemical and structural sciences, but consumer devices constrained to 2D inputs and outputs pose two major challenges: they poorly convey 3D nature, and 3D…
The ability to precisely visualize the atomic geometry of the interactions between a drug and its protein target in structural models is critical in predicting the correct modifications in previously identified inhibitors to create more…
The conductor-like polarization model (C-PCM) with switching/Gaussian smooth discretization is a widely used implicit solvation model in chemical simulations. However, its application in quantum mechanical calculations of large-scale…
The extensive use of GPUs in cloud computing and the growing need for multitenancy have driven the development of innovative solutions for efficient GPU resource management. Multi-Instance GPU (MIG) technology from NVIDIA enables shared GPU…
This paper presents a new technique for the virtual reality (VR) visu-alization of complex volume images obtained from computer tomography (CT) and Magnetic Resonance Imaging (MRI) by combining three-dimensional (3D) mesh processing and…
Kinetic plasma simulations solve the Vlasov-Poisson or Vlasov-Maxwell equations to evolve scalar-variable distribution functions in position-velocity phase space and vector-variable electromagnetic fields in physical space. The…
The SIMT execution model is commonly used for general GPU development. CUDA and OpenCL developers write scalar code that is implicitly parallelized by compiler and hardware. On Intel GPUs, however, this abstraction has profound performance…
Intermittent computing requires custom programming models to ensure the correct execution of applications despite power failures. However, existing programming models lead to programs that are hardware-dependent and not reusable. This paper…
In this paper we present a simulation environment enhanced with parallel processing which can be used on personal computers, based on a high-level user interface developed on Mathematica\copyright which is connected to C++ code in order to…
Ray tracing has long been the holy grail of real time rendering. This technique, commonly used for photo realism, simulates the physical behavior of light, at the cost of being computationally heavy. With the introduction of Nvidia RTX…
Cardiovascular disease affects millions of people worldwide and its social and economic cost clearly motivates scientific research. Computer simulation can lead to a better understanding of cardiac physiology, and for pathology presents…
Modern unified programming models (such as CUDA and SYCL) that combine host (CPU) code and GPU code into the same programming language, same file, and same lexical scope lack adequate support for GPU code specialization, which is a key…
The simplex algorithm has been successfully used for many years in solving linear programming (LP) problems. Due to the intensive computations required (especially for the solution of large LP problems), parallel approaches have also…
Graphics Processing Unit (GPU) computing is becoming an alternate computing platform for numerical simulations. However, it is not clear which numerical scheme will provide the highest computational efficiency for different types of…
PLUMED-GUI is an interactive environment to develop and test complex PLUMED scripts within the Visual Molecular Dynamics (VMD) environment. Computational biophysicists can take advantage of both PLUMED's rich syntax to define collective…
Visualization of large vector line data is a core task in geographic and cartographic systems. Vector maps are often displayed at different cartographic generalization levels, traditionally by using several discrete levels-of-detail (LODs).…
To reduce the carbon footprint of computing and stabilize electricity grids, there is an increasing focus on approaches that align the power usage of IT infrastructure with the availability of clean energy. Unfortunately, research on…
High-quality visualizations are an essential part of robotics research, enabling clear communication of results through figures, animations, and demonstration videos. While Blender is a powerful and freely available 3D graphics platform,…
Machine learning interatomic potentials (MLIPs) enable atomistic simulations with near ab initio accuracy at significantly reduced computational cost, but their broader adoption is often limited by fragmented tooling, limited scalability,…