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Understanding the interaction of intense, femtosecond X-ray pulses with heavy atoms is crucial for gaining insights into the structure and dynamics of matter. One key aspect of nonlinear light-matter interaction was, so far, not studied…
The suggestive idea of "cloaking" an electromagnetic sensor, i.e., strongly reducing its visibility (scattering) while maintaining its field-sensing (absorption) capabilities, has recently been proposed in the literature, based on…
Electronic transitions in molecules due to the absorption or emission of light is a complex quantum mechanical process. Their study plays an important role in the design of novel materials. A common yet challenging task in the study is to…
We analyze theoretically and experimentally how nonlinear differential-transmission spectroscopy of a lambda-system medium can provide quantitative understanding of the optical dipole moments and transition energies. We focus on the…
The theoretical and experimental study of energy transfer in photosynthesis has revealed an interesting transport regime, which lies at the borderline between classical transport dynamics and quantum-mechanical interference effects.…
SiC is set to enable a new era in power electronics impacting a wide range of energy technologies, from electric vehicles to renewable energy. Its physical characteristics outperform silicon in many aspects, including band gap, breakdown…
Interfaces between molecules and 2D materials exhibit energy-driven functionalities, wherein charge transfer directs molecular motion. Unlike equilibrium systems, where molecular assemblies settle into static configurations, continuous…
Interfaces between dissimilar materials control the transport of energy in a range of technologies including solar cells (electron transport), batteries (ion transport), and thermoelectrics (heat transport). Advances in computer power and…
Density functional theory calculations have been performed to study the structures and energetics of coherent and semicoherent TiC/Fe interfaces. A systematic method for determining the interfacial energy for the semicoherent interface with…
The computational treatment of many-electron systems capable of exchanging {electrons and nuclei} with the environment represents one of the outermost frontiers in simulation methodology. The exchanging process occurs in a large variety of…
X-ray near-field speckle-based phase-sensing approaches provide efficient means to characterise optical elements. Here, we present a theoretical review of several of these speckle methods in the frame of optical characterisation and provide…
In today's world of big data, computational analysis has become a key driver of biomedical research. Recent exponential growth in the volume of available omics data has reshaped the landscape of contemporary biology, creating demand for a…
Heat transfer can differ distinctly at the nanoscale from that at the macroscale. Recent advancement in computational and experimental techniques has enabled a large number of interesting observations and understanding of heat transfer…
This contribution presents a diffuse framework for modeling cracks in heterogeneous media. Interfaces are depicted by static phase-fields. This concept allows the use of non-conforming meshes. Another phase-field is used to describe the…
Hybrid van der Waals heterostructures of organic semiconductors and transition metal dichalcogenides (TMDs) are promising candidates for various optoelectronic devices, such as solar cells and biosensors. Energy-transfer processes in these…
Path sampling approaches have become invaluable tools to explore the mechanisms and dynamics of so-called rare events that are characterized by transitions between metastable states separated by sizeable free energy barriers. Their…
Modern optical spectrographs and optical interferometers push the limits in the spectral and spatial regime, providing important new tools for the exploration of the universe. In this contribution I outline the complementary nature of…
The analysis of absorption features along the line of sight to distant sources is an invaluable tool for observational cosmology, giving a direct insight into the physical and chemical state of the inter/circumgalactic medium. Such…
Important recent advances in transmission electron microscopy instrumentation and capabilities have made it indispensable for atomic-scale materials characterization. At the same time, the availability of two-dimensional materials has…
Imaging systems are commonly described using resolution, contrast, and signal-to-noise ratio, but these quantities do not provide a general account of how physical transformations affect the flow of information. This paper introduces an…