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Les unit\'{e}s graphiques (Graphic Processing Units- GPU) sont d\'{e}sormais des processeurs puissants et flexibles. Les derni\`{e}res g\'{e}n\'{e}rations de GPU contiennent des unit\'{e}s programmables de traitement des sommets (vertex…
Hybrid computational architectures based on the joint power of Central Processing Units and Graphic Processing Units (GPUs) are becoming popular and powerful hardware tools for a wide range of simulations in biology, chemistry, engineering,…
Oscillation probability calculations are becoming increasingly CPU intensive in modern neutrino oscillation analyses. The independency of reweighting individual events in a Monte Carlo sample lends itself to parallel implementation on a…
In this paper, we report fast calculation of a computer-generated-hologram using a new architecture of the HD5000 series GPU (RV870) made by AMD and its new software development environment, OpenCL. Using a RV870 GPU and OpenCL, we can…
The Graphics Processing Unit (GPU) is a powerful tool for parallel computing. In the past years the performance and capabilities of GPUs have increased, and the Compute Unified Device Architecture (CUDA) - a parallel computing architecture…
In the present work, the elastic constants and derived properties of tetragonal and cubic Heusler compounds were calculated using the high accuracy of the full-potential linearized augmented plane wave (FPLAPW). To find the criteria…
In this work we continue the investigation of different approaches to conception and modeling of composite materials. The global method we focus on, is called 'stochastic homogenization'. In this approach, the classical deterministic…
The effective mass of charge carriers is a fundamental descriptor of the electronic structure of materials, and can be used to assess performance in electronics applications, or to screen for thermoelectrics and transparent conductors.…
Automatic code generation is frequently used to create implementations of algorithms specifically tuned to particular hardware and application parameters. The code generation process involves the selection of adequate code transformations,…
In this paper, we propose a model-simulation framework for virtual tensile strength tests of random fiber structures, as they appear in nonwoven materials. The focus is on the efficient handling with respect to the problem-inherent…
Randomly textured polycrystalline materials of constituents with highly anisotropic nature of grains can be considered globally isotropic. In order to determine the isotropic properties, like elasticity or conductivity, we propose a theory…
Our understanding of the elasticity and rheology of disordered materials, such as granular piles, foams, emulsions or dense suspensions relies on improving experimental tools to characterize their behaviour at the particle scale. While 2D…
Materials representation plays a key role in machine learning based prediction of materials properties and new materials discovery. Currently both graph and 3D voxel representation methods are based on the heterogeneous elements of the…
Three dimensional (3D) structures composed of planar surfaces can be build out of accessible materials using easier fabrication technique with shorter fabrication time. To better design 3D structures with planar surfaces, realistic models…
Emerging multi-material 3D printing techniques have paved the way for the rational design of metamaterials with not only complex geometries but also arbitrary distributions of multiple materials within those geometries. Varying the spatial…
Adhesion is a fundamental phenomenon that plays a role in many engineering and biological applications. This paper concerns the use of machine learning to characterize the effective adhesive properties when a thin film is peeled from a…
We introduce a computational database with calculated structural, thermodynamic, electronic, magnetic, and optical properties of 820 one-dimensional materials. The materials are systematically selected and exfoliated from experimental…
We present a GPU-accelerated version of the real-space SPARC electronic structure code for performing Kohn-Sham density functional theory calculations within the local density and generalized gradient approximations. In particular, we…
The elastic behavior of materials is of critical importance for the design, fabrication, and testing of industrial and structural components. The ease with which the wave angle of incidence can be varied makes ultrasonic techniques well…
Granular materials are of critical interest to many robotic tasks in planetary science, construction, and manufacturing. However, the dynamics of granular materials are complex and often computationally very expensive to simulate. We…