|
|
Accuracy evaluation of neural network potentials for simulations of platinum nanocluster at hydroxylated silica interfaces
Pokorná, Kristýna ; Erlebach, Andreas (advisor) ; Vázquez Melis, Héctor (referee)
Supported platinum nanoparticles are important heterogeneous catalysts in many industrial processes, but their activity is strongly affected by particle diffusion and sintering mechanisms which lead to deactivation of the catalyst. To stabilise Pt nanoparticles, it is necessary to understand the reactive interactions of Pt with its support material, e.g., hydroxylated silica and defect-containing zeolites. Realistic simulations of such catalysts at the relevant timescales can be achieved with Neural Network Potentials (NNP) which retain ab initio accuracy at about 103 times lower computational costs compared to density functional theory (DFT) calculations. However, NNPs have only limited transferability to systems not included in the training database. Therefore, in this work recently developed SchNet NNPs were thoroughly tested. These NNPs were trained on a diverse set of Pt and defect-containing zeolites and hydroxylated silica surfaces. Firstly, the DFT database was extended by an active learning approach to accurately model the surfaces of α-quartz, MWW as well as the 2D zeolite layer IPC-1P (hydrolysis product of UTL). The NNPs trained on the new DFT database were then tested using MD simulations of systems unseen during the training procedure. These systems include a silanol nest containing...
|
|
|
Non-template activities of DNA/RNA polymerases and their significance
Pokorná, Kristýna ; Vopálenský, Václav (advisor) ; Pospíšil, Jiří (referee)
Non-templated addition of adenosine on the 3' end of the product of several DNA polymerases commonly used in molecular biology has been a problematic yet unexplained phenomenon for a few decades now. The only other instance where adenosine is added to the 3' end of an information molecule in a cell is polyadenylation. At the same time, several RNA viruses appear to perform similar action to either edit or polyadenylate their mRNAs. This work focuses on the details of these three highlighted processes and relationship between them and has found out that all of them appear to stem from a common conserved property of the ancestral polymerase. Key words: DNA polymerase, RNA polymerase, non-templated addition, Taq polymerase, polyadenylation
|
|
| |
|
|
Motivating pupils of younge school age
Pokorná, Kristýna ; Kargerová, Jana (advisor) ; Stará, Jana (referee)
My thesis deals with the motivation of younger school aged pupils. The theoretical part contains explanation of the term of motivation, characteristics of a child younger school age, specifics of motivation in education and possible ways of application in teaching. Here I also mention pros and cons of the use of rewards and punishments and typology of the child, which has an impact on the ways and means of motivating pupils. Finally in this part I devote to the motivation (pupils) to movement activities. The empirical part of my thesis is based on theoretical knowledge. I find out performance motivation of pupils using questionnaires for pupils in fifth classes. I used the method of interview to collect data of the frequency and ways of use class teacher motivation during the class. These data I gave in perspective, to find out how teachers' motivation affects performance motivation of pupils.
|
|
| |
|
| |
|
|
Working with the breath in classical dance technique
Pokorná, Kristýna ; KŘENKOVÁ, Mahulena (advisor) ; PUCHOWSKA, Sara Maria (referee)
This bachelor’s thesis discusses the possibilities of working with breath in classical dance technique. My research is based primarily on my personal perceptions obtained while observing the effects of breath on the body. My main aim is to make use of stimuli that occur in the body from the anatomical, physiological and psychological point of view while inhaling and exhaling in order to support the correct execution of the steps of the classical dance technique, in cooperation with countermoves in the body. This research section is preceded by a general overview of the respiratory system and the introduction of a different concept of breath.
|
|
| |
|
|
Motivating pupils of younge school age
Pokorná, Kristýna ; Kargerová, Jana (advisor) ; Stará, Jana (referee)
My thesis deals with the motivation of younger school aged pupils. The theoretical part contains explanation of the term of motivation, characteristics of a child younger school age, specifics of motivation in education and possible ways of application in teaching. Here I also mention pros and cons of the use of rewards and punishments and typology of the child, which has an impact on the ways and means of motivating pupils. Finally in this part I devote to the motivation (pupils) to movement activities. The empirical part of my thesis is based on theoretical knowledge. I find out performance motivation of pupils using questionnaires for pupils in fifth classes. I used the method of interview to collect data of the frequency and ways of use class teacher motivation during the class. These data I gave in perspective, to find out how teachers' motivation affects performance motivation of pupils.
|
|
|
Dopady změn spotřebních daní na podnikatelský subjekt
Pokorná, Kristýna
This thesis deals with the issue of excise duty on mineral oils -- diesel oil and petrol Natural 95 and excise duty on ethyl alcohol - fruit and grower distillery. The main objective of this work is to assess the effects of changes in rates of excise duties on mineral oils and ethyl alcohol on the consumption in specific trading company in 2002 - 2011 using the methods of comparison.
|
guest ::
RSS feed.