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Theoretical investigation of 27Al chemical shifts dependence on water amount and temperature in zeolite MFI
Willimetz, Daniel ; Grajciar, Lukáš (advisor) ; Blahut, Jan (referee)
Title: Theoretical investigation of 27 Al chemical shifts dependence on water amount and temperature in zeolite MFI Abstract: This bachelor thesis explores 27 Al NMR spectra in zeolite MFI and investigates the impact of several factors on the chemical shielding values, including water loading, temperature, and the relative positions of aluminum pairs. Various machine learning-based methods for calculating chemical shift are evaluated. Molecular dynamics simulations with neural network potentials are used to simulate experimental conditions. Neural network potentials offer a highly efficient means of calculating energy with a significant speed-up of approximately 1000 times faster than density functional theory, while maintaining a high level of accuracy. This study is the first to examine 27 Al NMR under operando conditions, with a focus on the experimentally relevant amount of water. Keywords: 27 Al NMR, machine learning, zeolites, MFI, operando conditions, neural network potentials
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Commercialization in Microfinance
Švenka, David ; Chytilová, Julie (advisor) ; Kracík, Jiří (referee)
This thesis is focused on commercialization in microfinance. Particularly on one of its possible negative impacts - the mission drift. Microfinance could be described as a useful financial tool that makes it possible to provide banking services, usually small loans and deposits, to rural poor people who live in places where it is hard to access the traditional banking sector. Commercialization of microfinance institutions means that the MFIs seek for commercial ways of funding. This usually happens when, for instance, some of the microfinance NGOs transforms into regulated commercial entity. Mission drift is then a situation when the microfinance institutions (MFIs) commercialize and abandon some of their poorest clients in order to pursuit some non-social goal such as sustainability or profitability. Therefore the MFIs drift from their original mission which is usually to fight the poverty. So far, there has not been conducted a lot of research on this topic. Furthermore, neither the microfinance experts agree with each other about the existence of mission drift. Therefore the main goal of this thesis is to closer inspect the mission drift on data from the MIX database. To do this we have used the regression analysis, combined with analysis of historical performance of the observed MFIs.
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