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The evolving fifth generation (5G) cellular wireless networks are envisioned to overcome the fundamental challenges of existing cellular networks, e.g., higher data rates, excellent end-to-end performance and user-coverage in hot-spots and…
We introduce a model description of femtosecond laser induced desorption at surfaces. The substrate part of the system is taken into account as a (possibly semi-infinite) linear chain. Here, being especially interested in the early stages…
Optimizing the performance of organic solar cells (OSCs) hinges on a comprehensive understanding of their nanostructures, yet traditional characterization methods often fall short, delivering incomplete structural snapshots. We introduce…
Advances in photovoltaic technology are a viable route to contribute to cleaner and more sustainable energy solutions, placing perovskite-based materials among the best candidates for solar energy conversion. However, some challenges must…
The discovery of synthetically accessible organic semiconductors with exceptional performance remains a critical bottleneck in materials science. While these materials offer compelling advantages - structural modularity, mechanical…
Simulation in media with multiple continua where each continuum interacts with every other is often challenging due to multiple scales and high contrast. One needs some types of model reduction. One of the approaches is multi-continuum…
Cell segmentation is a fundamental task for computational biology analysis. Identifying the cell instances is often the first step in various downstream biomedical studies. However, many cell segmentation algorithms, including the recently…
Sub-micrometer thin films are promising platforms for emerging flexible photovoltaic devices. Although the current market already produces efficient solar cells, the average wafer thickness of these devices remains far from the…
Perovskite solar cells (PSCs) are the most promising technology for advancing current photovoltaic performance. However, the main challenge for their practical deployment and commercialization is their operational stability, affected by…
Multiscale and multiphysics applications are now commonplace, and many researchers focus on combining existing models to construct combined multiscale models. Here we present a concise review of multiscale applications and their source…
We expect that multiscale simulations will be one of the main high performance computing workloads in the exascale era. We propose multiscale computing patterns as a generic vehicle to realise load balanced, fault tolerant and energy aware…
Halide perovskite solar cells based on CH3NH3PbI3 and related materials have emerged as the most exciting development in the next generation photovoltaic technologies, yet the microscopic phenomena involving photo-carriers, ionic defects,…
The Shockley and Queisser limit, a well-known efficiency limit for a solar cell, is based on unrealistic physical assumptions and its maximum limit is seriously overestimated. To understand the power loss mechanisms of record-efficiency…
Recent trends of ab initio studies and progress in methodologies for electronic structure calculations of strongly correlated electron systems are discussed. The interest for developing efficient methods is motivated by recent discoveries…
Research in cell biology is steadily contributing new knowledge about many different aspects of physiological processes like polymerization, both with respect to the involved molecular structures as well as their related function.…
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…
Todays heterogeneous networks comprised of mostly macrocells and indoor small cells will not be able to meet the upcoming traffic demands. Indeed, it is forecasted that at least a 100x network capacity increase will be required to meet the…
In this article we address the theoretical study of a multiscale drift-diffusion (DD) model for the description of photoconversion mechanisms in organic solar cells. The multiscale nature of the formulation is based on the co-presence of…
High performance calculation is increasingly used within society. Previously reserved for an elite, based on large computing and storage infrastructures, it is now a core module for many companies. Indeed, high performance calculation makes…
The incoherence of sunlight has long been suspected to have an impact on solar cell energy conversion efficiency, although the extent of this is unclear. Existing computational methods used to optimize solar cell efficiency under incoherent…