| 1. |
- Kuisma, Maria, et al.
(author)
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Preschool teachers' and student preschool teachers' thoughts about professionalism in Sweden
- 2008
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In: European Early Childhood Education Research Journal. - : Informa UK Limited. - 1350-293X .- 1752-1807. ; 16:2, s. 186-195
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Journal article (peer-reviewed)abstract
- This article discusses the different ways in which students and preschool teachers at two Swedish universities interpret the concept of professionalism. Data for this article are drawn from a study conducted in two different urban areas of Sweden which explored the following four questions: (1) What does the concept of professionalism imply for preschool teachers and students? (2) What does a professional teacher do in a preschool/school/after-school recreation centre? (3) How is professionalism developed? (4) What does preschool teachers' professionalism mean in comparison with professionalism in other closely related professions such as day-care attendants or recreational pedagogues? The survey was conducted using a questionnaire that students completed during a lesson at the university and by their supervisors at preschools. Data from the study are interpreted against a theoretical background that problematises the concept of 'professionalism' within the societal context of preschools in Sweden.
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| 2. |
- Mortensen, Jens Jorgen, et al.
(author)
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GPAW: An open Python package for electronic structure calculations
- 2024
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In: Journal of Chemical Physics. - 1089-7690 .- 0021-9606. ; 160:9
-
Journal article (peer-reviewed)abstract
- We review the GPAW open-source Python package for electronic structure calculations. GPAW is based on the projector-augmented wave method and can solve the self-consistent density functional theory (DFT) equations using three different wave-function representations, namely real-space grids, plane waves, and numerical atomic orbitals. The three representations are complementary and mutually independent and can be connected by transformations via the real-space grid. This multi-basis feature renders GPAW highly versatile and unique among similar codes. By virtue of its modular structure, the GPAW code constitutes an ideal platform for the implementation of new features and methodologies. Moreover, it is well integrated with the Atomic Simulation Environment (ASE), providing a flexible and dynamic user interface. In addition to ground-state DFT calculations, GPAW supports many-body GW band structures, optical excitations from the Bethe-Salpeter Equation, variational calculations of excited states in molecules and solids via direct optimization, and real-time propagation of the Kohn-Sham equations within time-dependent DFT. A range of more advanced methods to describe magnetic excitations and non-collinear magnetism in solids are also now available. In addition, GPAW can calculate non-linear optical tensors of solids, charged crystal point defects, and much more. Recently, support for graphics processing unit (GPU) acceleration has been achieved with minor modifications to the GPAW code thanks to the CuPy library. We end the review with an outlook, describing some future plans for GPAW.
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| 3. |
- Quant, Maria, 1985, et al.
(author)
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Low Molecular Weight Norbornadiene Derivatives for Molecular Solar-Thermal Energy Storage
- 2016
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In: Chemistry - A European Journal. - : Wiley. - 1521-3765 .- 0947-6539. ; 22:37, s. 13265-13274
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Journal article (peer-reviewed)abstract
- Molecular solar-thermal energy storage systems are based on molecular switches that reversibly convert solar energy into chemical energy. Herein, we report the synthesis, characterization, and computational evaluation of a series of low molecular weight (193-260 g mol(-1)) norbornadiene-quadricyclane systems. The molecules feature cyano acceptor and ethynyl-substituted aromatic donor groups, leading to a good match with solar irradiation, quantitative photo-thermal conversion between the norbornadiene and quadricyclane, as well as high energy storage densities (396-629 kJ kg(-1)). The spectroscopic properties and energy storage capability have been further evaluated through density functional theory calculations, which indicate that the ethynyl moiety plays a critical role in obtaining the high oscillator strengths seen for these molecules.
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