Molecular Dynamic Simulation on High Performance Infrastrucutres

This thesis covers comparison between different computer platforms of high performance computing while performing molecular dynamics simulations, which falls under very complex problems and needs lots of processing power. Our goal was to critically evaluate different platforms while solving molecular dynamics, so we used 1 to 16 processor cores on a computer cluster and one and two graphics processing units (GPU) for simulations. The results will be used while planning on buying new computer hardware for biomolecular simulations. We used time needed for simulations and platform scalability as our benchmarks. For comparing speed in biomolecular simulations we used ns/day for comparison. Ns/day tells us how many nanoseconds is a system capable of simulating in one day. For this thesis we simulated a large hydrated MAO B protein with endogen phenylethylamine substrate. The simulated system is extremely important for neuroscience, since it regulates levels of biogenic amines, which have an essential part in neuro signal transmitting. The results have shown us that the use of GPUs is significantly faster than regular processors when it comes to molecular dynamics. Moreover it is also the most cost effective platform for classical molecular dynamics. From the perspective of scalability it makes sense to only use one GPU at the time, since the speed-up when using two GPUs is lower than expected

DELUSIONS ABOUT CORPORATE GOVERNANCE FROM SOCIAL RESPONSIBILITY - POINT OF VIEW -

Recently, companies are expected to continue generating profits while mainta ining the highest standards of governance internally. In reality it seems like a missi on impossible. The author shows some blind alleys in recent professional literature. He deals with the inappropriate definitions of stakeholders together with the weakly defined purpose of corporations and their performance as well. Better solutions are proposed. They require quite big changes in theory and practice, especially in both education and political system

Visualisation of transient cavitating flow in piping systems

The paper deals with the visualisation of transient cavitating flow in piping systems. A high-speed video-system is used to record liquid column separation events in an experimental apparatus. The apparatus comprises a straight 37.2 m long sloping pipeline of 22 mm internal diameter, connecting two pressurised tanks. A discrete vapour cavity and vaporous cavitation zone were observed in the pipeline following downstream end rapid valve closure. The results of measurements (flow visualisation and pressure measurement) are compared to the discrete gas cavity model results. There are minor discrepanlfies between the computed and measured resultsANTON BERGANT - ANGUS R. SIMPSO

Methods for an Accounting Estimation of Company’s Capital Adequacy

The capital adequacy of a company is basic information about the risk of solvency that means a risk not to be able to settle obligations on long-term. Monitoring capital adequacy is mostly required by actual insolvency legislation. The author gives an overview of practical approaches to accounting analysis of company’s capital adequacy. In doing so, he distinguishes between basic and implemented methods, and addresses their strengths and weaknesses. Among these methods, also the fastest one is presented. This new method allows the first estimate even if a company has not made balance sheet yet. Therefore it is very useful for monitoring company’s risk about its solvency

Methods for an Accounting Estimation of Company’s Capital Adequacy

The capital adequacy of a company is basic information about the risk of solvency that means a risk not to be able to settle obligations on long-term. Monitoring capital adequacy is mostly required by actual insolvency legislation. The author gives an overview of practical approaches to accounting analysis of company’s capital adequacy. In doing so, he distinguishes between basic and implemented methods, and addresses their strengths and weaknesses. Among these methods, also the fastest one is presented. This new method allows the first estimate even if a company has not made balance sheet yet. Therefore it is very useful for monitoring company’s risk about its solvency

Determination of Four Paths to Social Wellbeing

Several definitions of social welfare can be found in the professional literature, especially on corporate social responsibility. In this paper, we start from the social responsibility of corporates and individuals for the creation of added value as a fundamental criterion for defining appropriate behavior. At the same time social irresponsibility is defined as well. It is important to define the responsible pillars for particular processes. Such a definition of processes enables the planning of social action in the broadest sense

International capital flows at the security level – evidence from the ECB’s asset purchase programme. CEPS ECMI Working Paper no 7 | October 2018

The paper analyses euro area investors’ portfolio rebalancing during the ECB’s Asset Purchase Programme (APP) at the security level. Based on net transactions of domestic and foreign securities, the authors observe euro area sectors’ capital flows into individual securities, cleaned from valuation effects. Their empirical analysis – which accounts for security-level characteristics – shows that euro area investors (in particular investment funds and households) actively rebalanced away from securities targeted under the Public Sector Purchase Programme (PSPP) and other euro-denominated debt securities, towards foreign debt instruments, including ‘closest substitutes’, i.e. certain sovereign debt securities issued by non-euro area advanced countries. This rebalancing was particularly strong during the first six quarters of the programme. The analysis also reveals marked differences across sectors as well as country groups within the euro area, suggesting that quantitative easing has induced heterogeneous portfolio shifts

Numerical comparison of pipe-column-separation models

Results comparing six column-separation numerical models for simulating localized vapor cavities and distributed vaporous cavitation in pipelines are presented. The discrete vapor-cavity model (DVCM) is shown to be quite sensitive to selected input parameters. For short pipeline systems, the maximum pressure rise following column separation can vary markedly for small changes in wave speed, friction factor, diameter, initial velocity, length of pipe, or pipe slope. Of the six numerical models, three perform consistently over a broad number of reaches. One of them, the discrete gas-cavity model, is recommended for general use as it is least sensitive to input parameters or to the selected discretization of the pipeline. Three models provide inconsistent estimates of the maximum pressure rise as the number of reaches is increased; however, these models do give consistent results provided the ratio of maximum cavity size to reach volume is kept below 10%.Angus R. Simpson and Anton Bergan

The impacts of climate change on the expected spatial redistribution of forest vegetation types

V raziskavi smo simulirali prostorsko prerazporeditev tipov gozdne vegetacije v Sloveniji, do katere bi lahko prišlo ob pričakovanih podnebnih spremembah. Potencialne prostorske spremembe gozdne vegetacije so bile analizirane v GIS okolju s pomočjo empiričnega modela, ki napoveduje prostorsko razporeditev gozdne vegetacije v odvisnosti od podnebnih in drugih parametrov. Rezultati simulacij na osnovi treh podnebnih scenarijev kažejo, da se bo vzorec razporeditve gozdne vegetacije menjal pod vplivom podnebnih sprememb. Po napovedih bi lahko do leta 2070 prišlo do sprememb vegetacijskega tipa na več kot 75 % vseh gozdnih površin. Danes prevladujoči, pretežno bukovi gozdovi bi lahko bili v spremenjenih okoljskih razmerah močno prizadeti. Model napovedujepadec deleža prevladujočih mezofilnih bukovih gozdov s sedanjih 57 %na samo 3 % po pesimističnem scenariju in do 29 % po optimističnem scenariju.V toplejšem podnebju, ki ga predvidevajo vsi trije scenariji, bi se močno razširili različni termofilni gozdovi.The redistribution of forest vegetation types in Slovenia, driven by the expected climate change, has been simulated. The potential spatial changes of forest vegetation have been analyzed using empirical GIS model forecasting thespatial distribution of forest vegetation in relation to climate and other ecological parameters. Based on the three different climate scenarios, the simulations showed that the spatial pattern of forest vegetation will be altered under the impacts of climate change. According to the prediction in the year 2070, the vegetation type is likely to be changed on more than 75% ofall forest sites. Nowadays dominant forests, mostly beech, may be affected by such changing environmental conditions. The decrease of the actual prevailing mesic beech forest share from the present 57% to only 3% under the pessimistic scenario and up to 29% under the optimistic scenario could be expected. In a warmer climate, predicted by all three future scenarios, different thermophilous forests will be expanded over larger area of the countr