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Graph neural networks for crystal structures typically use the atomic positions and the atomic species as input. Unfortunately, this information is not available when predicting new materials, for which the precise geometrical information is unknown. We circumvent this problem by replacing the precise bond distances with embeddings of graph distances. This allows our networks to be applied directl
Tunnel fire risk analysis are a useful tool to ensure adequate safety levels in tunnels. This report presents the work conducted to integrate a multi-zone modelling approach into a fire risk assessment tool, called ARTU. This work was performed to improve its fire modelling predictive capabilities compared to the currently adopted 1D fire modelling representation. This is deemed to allow for the u
The breaching of planetary boundaries and excessive extraction of natural resources requires a revisited approach to consumption and production. The concept of sufficiency, which advocates meeting human needs within the planetary limits by curbing excessive consumption levels, is gaining increasing attention. Businesses are drivers of consumption, yet they have been largely overlooked as potential
This article critically examines the approach of technical experts, including engineers, natural scientists, architects, planners, and other practitioners, who are attempting to create more sustainable forms of economic development, environmental protection, and social equity. The authors identify four principal characteristics of expertise–ontological assumptions, epistemological approaches, powe
Chronic breathlessness occurs across many different conditions, often independently of disease severity. Yet, despite being strongly linked to adverse outcomes, the consideration of chronic breathlessness as a stand-alone therapeutic target remains limited. Here we use data-driven techniques to identify and confirm the stability of underlying features (factors) driving breathlessness across differ
We investigate the next-to-leading-colour (NLC) contributions to the colour matrix in the fundamental and the colour-flow decompositions for tree-level processes with all gluons, one quark pair and two quark pairs. By analytical examination of the colour factors, we find the non-zero elements in the colour matrix at NLC. At this colour order, together with the symmetry of the phase-space, it is re
Reducing vulnerability is essential for adaptation to climate change. Compared to approaches that examine vulnerability to a specific hazard, our analysis offers an alternative perspective that conceptualizes vulnerability to climate change as a phenomenon that is independent of any specific type of hazard but relevant to multiple hazards. Vulnerability is thus a product of structural inequality a
We discuss the Layzer quenched ground state configuration of [Kr]4d104f13 along the Praseodymium (Pr) isoelectronic sequence between 80≤Z≤100. The 2F fine structure energy is examined from the point of view of the various contirbutions: correlation, frequency-independent and dependent Breit interaction and the two QED terms, self energy and vacuum polarisation. We find the fine structure energy to
Rapid Diagnostic Tests (RDTs) for malaria are restricted to a few biomarkers and antibody-mediated detection. However, the expression of commonly used biomarkers varies geographically and the sensibility of immunodetection can be affected by batch-to-batch differences or limited thermal stability. In this study we aimed to overcome these limitations by identifying a potential biomarker and by deve
Marine sedimentary ikaite is the parent mineral to glendonite, stellate pseudomorphs found throughout the geological record which are most usually composed of calcite. Ikaite is known to be metastable at earth surface temperatures and pressures, readily breaking down to more stable carbonate polymorphs when exposed to warm (ambient) conditions. Yet the process of transformation of ikaite to calcit
Rationale: Long-term oxygen therapy (LTOT) is prescribed for at least 15 hours per day and often used by patients for several years, but knowledge is limited regarding adverse effects, risk exposures, and health-related quality of life (HrQoL) among those treated. Objectives: To determine the prevalence of adverse effects, smoking, and alcohol consumption and their relations to HrQoL among patient
In this chapter we summarize the solution developed by team KTH for the Amazon Picking Challenge 2016 in Leipzig, Germany. The competition, which simulated a warehouse automation scenario, was divided into two parts: a picking task, where the robot picks items from a shelf and places them into a tote, and a stowing task, where the robot picks items from a tote and places them in a shelf. We descri
Superficial CD34-positive fibroblastic tumor (SCD34FT) is a rare soft tissue neoplasm that shows overlapping features with PRDM10-rearranged soft tissue tumor (PRDM10-STT). This study characterizes the clinicopathologic, immunohistochemical, and molecular features of SCD34FT in a series of 59 cases. Fluorescence in situ hybridization to assess for PRDM10 rearrangement was performed in 12 tumors. I
The Cherenkov Telescope Array (CTA) is the next-generation gamma-ray observatory currently under construction. It will improve over the current generation of imaging atmospheric Cherenkov telescopes (IACTs) by a factor of five to ten in sensitivity and it will be able to observe the whole sky from a combination of two sites: a northern site in La Palma, Spain, and a southern one in Paranal, Chile.
Using molecular simulation to aid in the analysis of neutron reflectometry measurements is commonplace. However, reflectometry is a tool to probe large-scale structures, and therefore the use of all-atom simulation may be irrelevant. This work presents the first direct comparison between the reflectometry profiles obtained from different all-atom and coarse-grained molecular dynamics simulations.
Background: Small-angle scattering (SAS) is a powerful technique capable of determining the sample averaged structure of systems within sizes ranging from 1 nm to ~500 nm. This is particularly useful when applied to the study of self-assembled organic systems. Objective: This review article introduces the method of model-dependent analysis of small angle scattering. Method: The underlying mathemat
Harvesting the excess energy from absorbed above bandgap photons is a promising approach to overcome the detailed balance limit for higher solar cell efficiencies. However, this remains very challenging for 2D layered halide perovskites as the fast excess energy loss competes effectively with charge extraction. Herein, the authors engineer the energy cascade manifold of quantum well (QW) states in
Flicker, or more precisely temporal light modulation (TLM), has re-emerged as a problem with the introduction of LED-based lighting technology. TLM, meaning variations in light intensity over time, may have negative effects on human health, causing annoyance, headaches, eyestrain and migraine. In addition to the unnecessary suffering TLM causes in individuals, the negative consequences of TLM crea
