Inom beräkningskemi arbetar man mer med molekyler än atomer, studerar stökiometriska relationer, kinetik och geometri, interatomära eletronövergångar medan beräkningsfysik studerar mer atomer och dess kärnor, fasta tillståndet och intraatomära övergångar, oftast närmast mot atomens kärna. Interaktionerna sker på en storleksskala på nanometer eller mindre med energiövergångar som är diskontinuerligThis study presents an approach for partitioned fluid-structure interaction (FSI) applied to large structural deformations, where an incompressible turbulent solver is combined with a structural solver. The implementation is based upon two different open-source libraries by using MPI as a parallel communication protocol, the packages deal.II and OpenFOAM. FSI is achieved through a strongly-coupled

Metal halide perovskites (MHPs) have garnered significant interest as promising candidates for nanoscale optoelectronic applications due to their excellent optical properties. Axially heterostructured CsPbBr3-CsPb(Br(1-x)Clx)3 nanowires can be produced by localized anion exchange of pregrown CsPbBr3 nanowires. However, characterizing such heterostructures with sufficient strain and real space reso

Plantation forests (PF) and natural secondary forests (NSF) are the primary reforestation approaches. The establishment of PF can affect forest hydrological processes by changing soil structure. To date, few studies have focused on these changes and the effects on hydrological processes for the paleo-periglacial landform. To reveal reforestation approaches effects on water infiltration, including

Flooding is a natural but unavoidable disaster that occurs over time. Flooding threatens human life, property, and resources and affects regional and national economies. Through frequency ratio and MaxEnt modeling, flood sensitivity was determined in the Amu Darya River Basin in Badakhshan Province, Afghanistan. Slope, plan curvature, distance to river, rainfall, aspect, land use, elevation, Norma

Charles Tilly was instrumental in launching the comparative study of contentious politics through key contributions delineating and defining the subject matter. But his input is epistemological as well as theoretical and substantive. What characterizes his epistemology is a realist mechanistic explanation rendering mechanisms tools of both explanation and comparison. Employing the realist perspect

Models based on the Ornstein-Uhlenbeck process have become standard for the comparative study of adaptation. Cooper et al. (2016) have cast doubt on this practice by claiming statistical problems with fitting Ornstein-Uhlenbeck models to comparative data. Specifically, they claim that statistical tests of Brownian motion may have too high Type I error rates and that such error rates are exacerbate

Learning semantic-rich representations from raw unlabeled time series data is critical for downstream tasks such as classification and forecasting. Contrastive learning has recently shown its promising representation learning capability in the absence of expert annotations. However, existing contrastive approaches generally treat each instance independently, which leads to false negative pairs tha

Autophagy plays a critical role in the physiology and pathophysiology of hepatocytes. High level of homocysteine (Hcy) promotes autophagy in hepatocytes, but the underlying mechanism is still unknown. Here, we investigate the relationship between Hcy-induced autophagy level and the expression of nuclear transcription factor EB (TFEB). The results show that Hcy-induced autophagy level is mediated b

We consider a class of weighted harmonic functions in the open upper half-plane known as α-harmonic functions. Of particular interest is the uniqueness problem for such functions subject to a vanishing Dirichlet boundary value on the real line and an appropriate vanishing condition at infinity. We find that the non-classical case (α ≠ 0) allows for a considerably more relaxed vanishing condition a

Many Fusarium species cause serious diseases for cereal cultivation. These include Fusarium head blight and crown rot on wheat and bakanae disease on rice. These represent a major concern both in terms of food security and food safety. The latter is connected with the risk of mycotoxin contamination of grains. Biological control has proven its potential for controlling head blight and crown rot di

IntroductionHealth-related quality of life (HRQoL) is essential for human wellbeing, influenced by a complex interplay of factors, and is reported lower in women than men. We aimed to evaluate which factors were the most important for HRQoL in a middle-aged general population.MethodsThis was a cross-sectional, multi-centre study of 29,212 men (48%) and women (52%) aged 50–64 in the general populat

Singapore’s education system is globally recognized for its high academic standards. In this paper, I explore how Singaporean parents navigate sentiments of uncertainty and risk in relation to their children’s education. While academic achievements are still considered crucial to foster a competitive population, there has been a shift of attention in education policy towards social-emotional skillSingapore’s education system is globally recognized for its high academic standards. In this paper, I explore how Singaporean parents navigate sentiments of uncertainty and risk in relation to their children’s education. While academic achievements are still considered crucial to foster a competitive population, there has been a shift of attention in education policy towards social-emotional skill

In general, the word, photosynthesis, is considered synonymous with oxygenic photosynthesis, a process by which cyanobacteria, algae, aquatic, and terrestrial plants produce oxygen and carbohydrates, using light (photons), water and carbon dioxide. Further, we have anoxygenic bacterial photosynthesis where oxygen is not evolved, but a substrate, other than water, is oxidized, and rhodopsin-type sy

To combat climate change, it is anticipated that in the coming years countries around the world will adopt more stringent policies to reduce greenhouse gas emissions and increase the use of clean energy sources. These policies will also affect the industry sector, which means that industrial production is likely to progressively shift from CO2-emitting fossil fuel sources to renewable energy sourc

Introduction. Perioperative chemotherapy is the standard treatment for patients with locally advanced resectable gastric cancer. The prognostic relevance of MSI status in patients undergoing neoadjuvant chemotherapy remains unclear. Aim. To study the prognostic significance of MSI in gastric cancer patients undergoing perioperative CT. Materials and methods. The study included 173 patients with lo

Non-governmental organisations (NGOs) increasingly enter into “partnerships” with states to implement human rights, a phenomenon that has been studied both as a necessary inclusion of civil society in human rights practice, and as a slippery slope towards a neoliberal state retreat. What remains to be studied is how this partnership practice shapes the concepts of human rights and their duty beare

We all know that conflict creates displacement. Life becomes untenable in different ways, and people are forced to move; the majority ending up as internally displaced people within the nation-state, while others wind up in refugee camps in neighboring countries, and a very few seek asylum in faraway places. The recent war in Ukraine and the conflict in Syria since 2011 seemingly fit into this cla