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The thermoelectric power factor of hierarchically nanostructured materials is investigated using the nonequilibrium Greens function method for quantum transport, including interactions of electrons with acoustic and optical phonons. We…

Environmental health studies are increasingly measuring multiple pollutants to characterize the joint health effects attributable to exposure mixtures. However, the underlying dose-response relationship between toxicants and health outcomes…

The article proposes a conceptual approach for evaluating the impact of engineered nanoparticles (NPs) on the functionality of small biomolecules. The developed machine learning (ML) model is based on in-silico 13C NMR spectroscopy chemical…

The use of nanoparticles for targeted drug delivery, especially in diseased arteries, is a novel procedure. We are incorporating nanoparticles into blood vessels using a catheter, which could potentially deliver drugs precisely to affected…

This paper addresses patient heterogeneity associated with prediction problems in biomedical applications. We propose a systematic hypothesis testing approach to determine the existence of patient subgroup structure and the number of…

In the frame of the development of thin crystalline silicon solar cell technologies, surface nanopatterning of silicon is gaining importance. Its impact on the material quality is, however, not yet fully controlled.We investigate here the…

Throughout the evolution of biological species on Earth, cells and organs have developed many complex structures and processes to ensure their interactions with individual chemical molecules (small and macromolecular) and nanoscale objects…

Populations of heterogeneous cells play an important role in many biological systems. In this paper we consider systems where each cell can be modelled by an ordinary differential equation. To account for heterogeneity, parameter values are…

The macroscopic properties of materials that we observe and exploit in engineering application result from complex interactions between physics at multiple length and time scales: electronic, atomistic, defects, domains etc. Multiscale…

The technological and economic benefits of engineered nanomaterials may be offset by their adverse effects on living organisms. One of the highly produced nanomaterials under such scrutiny is amorphous silica nanoparticles, which are known…

Determining potential abilities of nanostructures to induce toxicity to biological molecules is still a convoluted challenge in the realm of nanomedicine. Based on the unprecedented achievements of twodimensional nanomaterials in nearly all…

We present the advantages of a multiscale modelling strategy for the understanding of systems with charged interfaces. On the one hand, one can simulate a complex system at different levels, depending on the relevant length and time scales…

The optimal design of nanoparticle synthesis protocols is often achieved via one-at-a-time experimental designs. Aside from covering a limited space for the possible input conditions, these methods neglect possible interaction between…

High-energy antinucleus-nucleus collisions are studied in the extended multi-chain model. The event probability of inclusive process is calculated by means of the operator matrix in the moment space. Analytic forms for single-particle…

In this paper, a methodology is proposed that enables to analyze the sensitivity of the outcome of a therapy to unavoidable high dispersion of the patient specific parameters on one hand and to the choice of the parameters that define the…

Engineered timber is pivotal to low-carbon construction, but moisture uptake during its service life can compromise structural reliability and impede reuse within a circular economy model. Despite growing interest, quantitative standards…

The optimization of composition and processing to obtain materials that exhibit desirable characteristics has historically relied on a combination of scientist intuition, trial and error, and luck. We propose a methodology that can…

Humans are routinely exposed to mixtures of chemical and other environmental factors, making the quantification of health effects associated with environmental mixtures a critical goal for establishing environmental policy sufficiently…

There is abundant interest in assessing the joint effects of multiple exposures on human health. This is often referred to as the mixtures problem in environmental epidemiology and toxicology. Classically, studies have examined the adverse…

A multi-scale methodology is developed in conjunction with a probabilistic fatigue lifetime model for structures with pores whose exact distribution, i.e. geometries and locations, is unknown. The method takes into account uncertainty in…