Values and ideals in teachers’ professional judgement

in Gewirtz, S.; Mahony, P.; Hextall, I. (Eds.) et al Changing teacher professionalism. (2009)

The values of web archives

in International Journal of Digital Humanities (2021)

This article considers how the development, promotion and adoption of a set of core values for web archives, linked to principles of “good governance”, will help them to tackle the challenges of ... [more ▼]

This article considers how the development, promotion and adoption of a set of core values for web archives, linked to principles of “good governance”, will help them to tackle the challenges of sustainability, accountability and inclusiveness that are central to their long-term societal and cultural worth. It outlines the work that has already been done to address these questions, as web archiving begins to move out of its establishment phase, and then discusses seven key principles of good governance that might be adapted by and embedded within web archives: participation, consensus, accountability, transparency, effectiveness and efficiency, inclusivity and legality. The article concludes with a call to action for researchers and archivists to co-create the core values for web archives that will be required if they are to remain a vital part of our cultural heritage infrastructure. [less ▲]

Values-based territorial food networks Qualifying sustainable and ethical transitions of alternative food networks.

in Regions & Cohesion (2022), 12(3, Winter 2022), 78-109

This comparative literature review of local food systems, short food supply chains, and civic food networks, subsumed under alternative food networks (AFN), suggests converging them into the novel ... [more ▼]

This comparative literature review of local food systems, short food supply chains, and civic food networks, subsumed under alternative food networks (AFN), suggests converging them into the novel umbrella-term values-based territorial food networks (VTFN). Based on the analysis of specificities and shortcomings in the four concepts, VTFN aims to enhance conceptual clarity, while the current coexistence conceals structural and systemic commonalities—relevant for understanding pathways to ethical and sustainable food system transformations. Taking stock of issues in the four concepts, VTFN strives to be overarching and pragmatic. It qualifi es AFN’s “alternativeness” through social, economic, environmental and governance “sustainability values” and through the co-construction of “territoriality” in varying constellations. Thus, it fosters integrated scientific dialogue about conceptual determinations of emerging networks of food system transitions worldwide. [less ▲]

Valuing American options using fast recursive projections

Scientific Conference (2013, July 16)

Valuing American options using fast recursive projections

Scientific Conference (2016, May)

Valuing American options using fast recursive projections

Scientific Conference (2016, July)

Valuing Creativity, Feeling Overworked and Working Hours: Male Workers and the New Spirit of Capitalism

in Time & Society (2020), 29(1), 51-73

Boltanski and Chiapello argued that creativity is a required attribute of managers emanating from the ideology of the ‘New Spirit of Capitalism’. Ideology provides the justification for work practices and ... [more ▼]

Boltanski and Chiapello argued that creativity is a required attribute of managers emanating from the ideology of the ‘New Spirit of Capitalism’. Ideology provides the justification for work practices and brings material consequences in relation to the experience of time. This article explores both the ideology and the links between the ideological and the experience of time by assessing whether male managers prioritise creativity and whether this is related to their working hours, driving them to work longer hours than other workers and longer hours than they actually want. Men’s dominant position in work organisations puts them at the centre of this exploration. Using multilevel logistic and linear models on 2010 data from the European Social Survey (N = 7049), we show that male managers prioritise creativity more than other workers do. There are consequences for the experience of time as valuing creativity in combination with being a manager increases working hours above the large and significant effect of being a manager. The feeling of overwork is raised independently for those who value creativity and for those who are managers. [less ▲]

Valuing what we measure or measuring what we value? On the need to engage with the question of purpose in educational evaluation, assessment and measurement

in Böttcher, W.; Dicke, J. N.; Hogrebe, N. (Eds.) Evaluation, Bildung und Gesellschaft: Steuerungsinstrumente zwischen Anspruch und Wirklichkeit. (2010)

van der Waals Dispersion Interactions in Biomolecular Systems: Quantum-Mechanical Insights and Methodological Advances

Doctoral thesis (2020)

Intermolecular interactions are paramount for the stability, dynamics and response of systems across chemistry, biology and materials science. In biomolecules they govern secondary structure formation ... [more ▼]

Intermolecular interactions are paramount for the stability, dynamics and response of systems across chemistry, biology and materials science. In biomolecules they govern secondary structure formation, assembly, docking, regulation and functionality. van der Waals (vdW) dispersion contributes a crucial part to those interactions. As part of the long-range electron correlation, vdW interactions arise from Coulomb-coupled quantum-mechanical fluctuations in the instan- taneous electronic charge distribution and are thus inherently many-body in nature. Common approaches to describe biomolecular systems (i.e., classical molecular mechanics) fail to capture the full complexity of vdW dispersion by adapting a phenomenological, atom-pairwise formalism. This thesis explores beyond-pairwise vdW forces and the collectivity of intrinsic electronic behav- iors in biomolecular systems and discusses their role in the context of biomolecular processes and function. To this end, the many-body dispersion (MBD) formalism parameterized from density-functional tight-binding (DFTB) calculations is used. The investigation of simple molecular solvents with particular focus on water gives insights into the vdW energetics and electronic response properties in liquids and solvation as well as emergent behavior for coarse-grained models. A detailed study of intra-protein and protein–water vdW interactions highlights the role of many-body forces during protein folding and provides a funda- mental explanation for the previously observed “unbalanced” description and over-compaction of disordered protein states. Further analysis of the intrinsic electronic behaviors in explicitly solvated proteins indicates a long-range persistence of electron correlation through the aque- ous environment, which is discussed in the context of protein–protein interactions, long-range coordination and biomolecular regulation and allostery. Based on the example of a restriction enzyme, the potential role of many-body vdW forces and collective electronic behavior for the long-range coordination of enzymatic activity is discussed. Introducing electrodynamic quantum fluctuations into the classical picture of allostery opens up the path to a more holistic view on biomolecular regulation beyond the traditional focus on merely local structural modifications. Building on top of the MBD framework, which describes vdW dispersion within the interatomic dipole-limit, a practical extension to higher-order terms is presented. The resulting Dipole- Correlated Coulomb Singles account for multipolar as well as dispersion-polarization-like contri- butions beyond the random phase approximation by means of first-order perturbation theory over the dipole-coupled MBD state. It is shown that Dipole-Correlated Coulomb Singles become particularly relevant for relatively larger systems and can alter qualitative trends in the long-range interaction under (nano-)confinement. Bearing in mind the frequent presence of confinement in biomolecular systems due to cellular crowding, in ion channels or for interfacial water, this so-far neglected contribution is expected to have broad implications for systems of biological relevance. Ultimately, this thesis introduces a hybrid approach of DFTB and machine learning for the accu- rate description of large-scale systems on a robust, albeit approximate, quantum-mechanical level. The developed DFTB-NN rep approach combines the semi-empirical DFTB Hamiltonian with a deep tensor neural network model for localized many-body repulsive potentials. DFTB- NN rep provides an accurate description of energetic, structural and vibrational properties of a wide range of small organic molecules much superior to standard DFTB or machine learning. Overall, this thesis aims to extend the current view of complex (bio)molecular systems being governed by local, (semi-)classical interactions and develops methodological steps towards an advanced description and understanding including non-local interaction mechanisms enabled by quantum-mechanical phenomena such as long-range correlation forces arising from collective electronic fluctuations. [less ▲]

Van der Waals Interactions Between Organic Adsorbates and at Organic/Inorganic Interfaces

in MRS BULLETIN (2010), 35(6), 435-442

Van der Waals (vdW) interactions play a prominent role in the structure and function of organic/organic and organic/inorganic interfaces. Their accurate determination from first principles, however, is a ... [more ▼]

Van der Waals (vdW) interactions play a prominent role in the structure and function of organic/organic and organic/inorganic interfaces. Their accurate determination from first principles, however, is a notoriously difficult task. Recently, a surge of interest in modeling vdW interactions has led to promising theoretical developments. This article reviews the state-of-the-art of describing vdW interactions by density-functional theory with respect to accuracy and practicability. The performance of the different methods is demonstrated for simple systems, such as rare-gas dimers and small organic molecules. The nature of binding at organic/inorganic interfaces is then exemplified for the perylene-3,4,9,10-tetracarboxylic-3,4,9,10-dianhydride (PTCDA) molecule at surfaces of coinage metals. This fundamental system is the best-characterized organic molecule/metal interface in experiment and theory. We emphasize the crucial importance of a balanced description of both geometry and electronic structure in order to understand and model the properties of such systems. Finally, the relevance of vdW interactions to the function of actual devices based on interfaces is discussed. [less ▲]