Fachbereich Ingenieurwissenschaften und Kommunikation
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The elucidation of conformations and relative potential energies (rPEs) of small molecules has a long history across a diverse range of fields. Periodically, it is helpful to revisit what conformations have been investigated and to provide a consistent theoretical framework for which clear comparisons can be made. In this paper, we compute the minima, first- and second-order saddle points, and torsion-coupled surfaces for methanol, ethanol, propan-2-ol, and propanol using consistent high-level MP2 and CCSD(T) methods. While for certain molecules more rigorous methods were employed, the CCSD(T)/aug-cc-pVTZ//MP2/aug-cc-pV5Z theory level was used throughout to provide relative energies of all minima and first-order saddle points. The rPE surfaces were uniformly computed at the CCSD(T)/aug-cc-pVTZ//MP2/aug-cc-pVTZ level. To the best of our knowledge, this represents the most extensive study for alcohols of this kind, revealing some new aspects. Especially for propanol, we report several new conformations that were previously not investigated. Moreover, two metrics are included in our analysis that quantify how the selected surfaces are similar to one another and hence improve our understanding of the relationship between these alcohols.
Sharpening the Educational Toolset - Promoting Professional Development of University Lecturers
(2016)
Low power dissipation is a current topic in digital design, and therefore, it should be covered in a state-of-the-art electrical engineering curriculum. This paper describes how low-power design can be addressed within a digital design course. Doing so would be beneficial for both topics because low-power design is not detached from the systems perspective, and the digital design course would be enriched by references to current challenges and applications. Thus, the presented course should serve as an example of how a course can be developed to also teach students about sustainable engineering.
Using an Embroidery Machine to Achieve a Deeper Understanding of Electromechanical Applications
(2013)
An electronic display often has to present information from several sources. This contribution reports about an approach, in which programmable logic (FPGA) synchronises and combines several graphics inputs. The application area is computer graphics, especially rendering of large 3D models, which is a computing intensive task. Therefore, complex scenes are generated on parallel systems and merged to give the requested output image. So far, the transportation of intermediate results is often done by a local area network. However, as this can be a limiting factor, the new approach removes this bottleneck and combines the graphic signals with an FPGA.
This paper describes FGPA-based image combining for parallel graphics systems. The goal of our current work is to reduce network traffic and latency for increasing performance in parallel visualization systems. Initial data distribution is based on a common ethernet network whereas image combining and returning differs to traditional parallel rendering methods. Calculated sub-images are grabbed directly from the DVI-Ports for fast image compositing by a FPGA-based combiner.