A reactive neural network framework for water-loaded acidic zeolites

Under operating conditions, the dynamics of water and ions confined within protonic aluminosilicate zeolite (H-AS) micropores are responsible for many of their properties, including hydrothermal stability, acidity and catalytic activity. However, due to high computational cost, operando studies of H-AS are currently rare and limited to specific cases and simplified models. In this work, we have developed a general potential energy surface interpolator with consistent accuracy for the entire class of H-AS, including the full range of experimentally relevant water concentrations and Si/Al ratios, via a reactive neural network potential (NNP). This NNP combines dramatic sampling acceleration at the metaGGA reference level with the capacity for discovery of new chemistry, such as collective defect formation mechanisms at the zeolite surface. Furthermore, we show that the baseline model allows for data-efficient adoption of higher-level (hybrid) references via $\Delta$-learning and the acceleration of rare event sampling via automatic construction of collective variables. This framework allows for operando simulations of realistic catalysts at quantitative accuracy.Comment: Supplementary information adde

Einsatz von Primo an der Universitäts- und Landesbibliothek Tirol

The University and Regional Library Tirol has implemented the software PRIMO by ExLibris which is using search engine technology as discovery service for its holdings of printed and audiovisual media as well as digital objects. The software also integrates federated search in the licensed databases of the library. The implementation provides easy access for our users and is well accepted

Analysis of barrier-free accessibility of pedestrian crossings in the town of Zdar nad Sazavou

Bakalářská práce je zaměřená na zhodnocení bezbariérových opatření přechodů pro chodce ve městě Žďár nad Sázavou. Hlavní část práce se věnuje návrhu na odstranění bariér na přechodech pro chodce. V práci je navržen harmonogram postupu bezbariérových úprav a finanční vyhodnocení tohoto návrhu postupu.Bachelor work is focused on the evaluation of barrier-free measures of pedestrian crossings in the town of Žďár nad Sázavou. Body of the Bachelor work is given to the proposal to remove barriers to pedestrian crossings. In the work is suggested the barrier-free process adjustments and financial evaluation of the proposal process.Katedra technologie a řízení dopravyStudent obhájil bakalářskou práci a odpověděl na dotazy kladené v rozpravě

Vývoj využití krajiny východních Krkonoš: příklad obce Babí u Trutnova =Land use development in the eastern Giant Mts: the example of the village Babí near Trutnov

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A functional interaction approach to the definition of meso regions: The case of the Czech Republic

The definition of functional meso regions for the territory of the Czech Republic is articulated in this article. Functional regions reflect horizontal interactions in space and are presented as a useful tool for various types of geographical analyses, and also for spatial planning, economic policy designs, etc. This paper attempts to add to the discussion on the need to delineate areal units at different hierarchical levels, and to understand the functional flows and spatial behaviours of the population in a given space. Three agglomerative methods are applied in the paper (the CURDS regionalisation algorithm, Intramax, and cluster analysis), and they have not been used previously in Czech geography for the delineation of functional meso regions. Existing functional regions at the micro-level, based on daily travel-to-work flows from the 2001 census, have served as the building blocks. The analyses have produced five regional systems at the meso level, based on daily labour commuting movements of the population. Basic statistics and a characterisation of these systems are provided in this paper

Is there congruence in the spatial patterns of regions derived from scalar and vector geographical information?

Selected traits of the spatial organisation of a geographical environment which stem from two types of human behaviour (locational and interactive) are examined in this paper. An attempt is made to find and account for similarities in the spatial patterns of scalar and vector geographical data. In doing so, the paper analyses a core-periphery dichotomy, based on socio-economic information, and travel-to-work patterns. The paper uses the concept of a region as an integrating and focusing framework for the study. Formal regions (peripheral areas) are defined through the application of principal components analysis and cluster analysis; functional regions are defined by a standard rule-based regionalisation algorithm. The territory of the Czech Republic is used as an area for testing the basic hypotheses. The results show that there is some form of interrelationship and complementarity between the spatial distribution of scalar data and vector data, i.e. between spatial structure and spatial interaction patterns, which together form the spatial organisation of a geographical environment

Vícestupňový aglomerační přístup k vymezení funkčních regionů České republiky :využití údajů o dojížďce z roku 2001

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Návštěvnost obchodních center v Olomouci (Česká republika) :aplikace gravitačního modelu

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A Multistage Agglomerative Approach for Defining Functional Regions of the Czech Republic: The Use of 2001 Commuting Data/ Vícestupňový aglomerační přístup k vymezení funkčních regionů České republiky: využití údajů o dojížďce z roku 2001

Článek se zabývá problémem vymezení funkčních regionů na území České republiky a přispívá jak k teoretické diskusi (např. problém modifikovatelné územní jednotky) tak k praktickým aplikacím (např. prostorová správa, regionální plánování). Je aplikován vícestupňový aglomerační přístup k funkční regionální taxonomii, jenž byl v české geografii použit poprvé zcela nedávno. Regionalizační algoritmus poskytl čtyři variantní řešení založené na analýze denních toků do zaměstnání z censu z roku 2001. Výsledné regiony odpovídají mikroregionální úrovni a v rámci této úrovně byly identifikovány další dva stupně. Ke všem variantám jsou rovněž uvedeny základní statistiky