Search results for "Computational Science"
showing 10 items of 124 documents
Track and Workshop Program Chair Messages
2016
GROMEX: A Scalable and Versatile Fast Multipole Method for Biomolecular Simulation
2020
Atomistic simulations of large biomolecular systems with chemical variability such as constant pH dynamic protonation offer multiple challenges in high performance computing. One of them is the correct treatment of the involved electrostatics in an efficient and highly scalable way. Here we review and assess two of the main building blocks that will permit such simulations: (1) An electrostatics library based on the Fast Multipole Method (FMM) that treats local alternative charge distributions with minimal overhead, and (2) A $λ$-dynamics module working in tandem with the FMM that enables various types of chemical transitions during the simulation. Our $λ$-dynamics and FMM implementations d…
AnyOLAP
2021
The volume of data that is processed and produced by modern data-intensive applications is constantly increasing. Of course, along with the volume, the interest in analyzing and interpreting this data increases as well. As a consequence, more and more DBMSs and processing frameworks are specialized towards the efficient execution of long-running, read-only analytical queries. Unfortunately, to enable analysis, the data first has to be moved from the source application to the analytics tool via a lengthy ETL process, which increases the runtime and complexity of the analysis pipeline. In this work, we advocate to simply skip ETL altogether. With AnyOLAP, we can perform online analysis of dat…
Erratum to: Scatter Search – Methodology and Implementations in C
2018
A hybrid virtual–boundary element formulation for heterogeneous materials
2021
Abstract In this work, a hybrid formulation based on the conjoined use of the recently developed Virtual Element Method (VEM) and the Boundary Element Method (BEM) is proposed for the effective computational analysis of multi-region domains, representative of heterogeneous materials. VEM has been recently developed as a generalisation of the Finite Element Method (FEM) and it allows the straightforward employment of elements of general polygonal shape, maintaining a high level of accuracy. For its inherent features, it allows the use of meshes of general topology, including non-convex elements. On the other hand, BEM is an effective technique for the numerical solution of sets of boundary i…
Embedded Processing and Compression of 3D Sensor Data for Large Scale Industrial Environments
2019
This paper presents a scalable embedded solution for processing and transferring 3D point cloud data. Sensors based on the time-of-flight principle generate data which are processed on a local embedded computer and compressed using an octree-based scheme. The compressed data is transferred to a central node where the individual point clouds from several nodes are decompressed and filtered based on a novel method for generating intensity values for sensors which do not natively produce such a value. The paper presents experimental results from a relatively large industrial robot cell with an approximate size of 10 m ×
Parallelization of a Lattice Boltzmann Suspension Flow Solver
2002
We have applied a parallel Lattice Boltzmann method to solve the behaviour of the suspension flow. The complex behaviour of the suspension flow cannot be solved by analytical methods, so simulations are the only way to study it. Usually the size of an interesting problem is so big that calculation time on one processor is too long, and this can be solved by parallel program. We have written a parallel suspension flow solver and tested it on massive parallel computers. The measured performance of our program show that the parallelization of suspension particles was successful. We also show that over one million particles can be simulated.
Connected-component identification and cluster update on graphics processing units.
2011
Cluster identification tasks occur in a multitude of contexts in physics and engineering such as, for instance, cluster algorithms for simulating spin models, percolation simulations, segmentation problems in image processing, or network analysis. While it has been shown that graphics processing units (GPUs) can result in speedups of two to three orders of magnitude as compared to serial codes on CPUs for the case of local and thus naturally parallelized problems such as single-spin flip update simulations of spin models, the situation is considerably more complicated for the nonlocal problem of cluster or connected component identification. I discuss the suitability of different approaches…
Computational engineering to enhance the photovoltaic by end‐capped and bridging core alterations: Empowering the future with solar energy through sy…
2021
Introduction to ADT/ADT3D
2012
ADT approach was successfully used within the last years to solve crystal structure of nanocrystalline material ab-inito using programs initially written for X-ray diffraction data. The methodology of ADT data analysis including data extraction in a format suitable for established structure solution programs was developed. A collection of processing routines was implemented into dedicated software ADT3D. Here the main steps of ADT data processing are explained, and the complete sequence of steps from importing raw data to saving the hklI file is demonstrated.