DEVELOPMENT OF A CHEMICALLY REACTING FLOW SOLVER ON THE GRAPHIC PROCESSING UNITS

Conformational entropy calculation, usually computed by normal-mode analysis (NMA) or quasi harmonic analysis (QHA), is extremely time-consuming. Here, instead of NMA or QHA, a solvent accessible surface area (SASA) based model was employed to compute the conformational entropy, and a new fast GPU-based method called MURCIA (Molecular Unburied Rapid Calculation of Individual Areas) was implemen...

We present a way to improve the performance of the electronic structure Vienna Ab initio Simulation Package (VASP) program. We show that high-performance computers equipped with graphics processing units (GPUs) as accelerators may reduce drastically the computation time when offloading these sections to the graphic chips. The procedure consists of (i) profiling the performance of the code to is...

Sino-atrial node cells (SANCs) play a significant role in rhythmic firing. To investigate their role in arrhythmia and interactions with the atrium, computer simulations based on cellular dynamic mathematical models are generally used. However, the large-scale computation usually makes research difficult, given the limited computational power of Central Processing Units (CPUs). In this paper, a...

The Graphic Processing Unit (GPU) has evolved into a powerful and flexible processor. The latest graphic processors provide fully programmable vertex and pixel processing units that support vector operations up to single floating-point precision. This computational power is now being used for general-purpose computations. However, some applications require higher precision than single precision...

We show how to accelerate relativistic hydrodynamics simulations using graphic cards (graphic processing units, GPUs). These improvements are of highest relevance e.g. to the field of highenergetic nucleus-nucleus collisions at RHIC and LHC where (ideal and dissipative) relativistic hydrodynamics is used to calculate the evolution of hot and dense QCD matter. The results reported here are based...

Noise removal operation is commonly applied as pre-processing step before subsequent image processing tasks due to the occurrence of noise during acquisition or transmission process. A common problem in imaging systems by using CMOS or CCD sensors is appearance of  the salt and pepper noise. This paper presents Cellular Automata (CA) framework for noise removal of distorted image by the salt an...