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Empowered by ever-increasing computational power and algorithmic developments, electronic-structure simulations continue to drive research and innovation in materials science. In this context, ab-initio calculations offer an unbiased platform for the under ...
Absorption in amine solutions is a well-established advanced technology for CO2 capture. However, the fundamental aspects of the chemical reactions occurring in solution still appear to be unclear. Our previous investigation of aqueous monoethanolamine (ME ...
In this work, we develop a new framework for dynamic network flow pro-blems based on optimal transport theory. We show that the dynamic multicommodity minimum-cost network flow problem can be formulated as a multimarginal optimal transport problem, where t ...
Local modifications of a computational domain are often performed in order to simplify the meshing process and to reduce computational costs and memory requirements. However, removing geometrical features of a domain often introduces a non-negligible error ...
Materials properties are strictly dependent on their microstructure. The internal symmetries and the disposition of the constituting atoms of a material, which depend on its crystallographic structure, greatly affect its response to mechanical, electromagn ...
IntroductionNeuroimaging technology has experienced explosive growth and transformed the study of neural mechanisms across health and disease. However, given the diversity of sophisticated tools for handling neuroimaging data, the field faces challenges in ...
The successes of deep learning for semantic segmentation can in be, in part, attributed to its scale: a notion that encapsulates the largeness of these computational architectures and the labeled datasets they are trained on. These resource requirements hi ...
A central question in multi-agent strategic games deals with learning the underlying utilities driving the agents' behaviour. Motivated by the increasing availability of large data-sets, we develop an unifying data-driven technique to estimate agents' util ...
In this chapter, we present a review of recent progress in the modeling of lightning strikes to tall structures. Since some tall structures are struck by lightning several tens of times per year, they can be used as ground-truth to measure and calibrate th ...
Carbohydrates are the most abundant organic material on Earth and the structural "material of choice" in many living systems. Nevertheless, design and engineering of synthetic carbohydrate materials presently lag behind that for protein and nucleic acids. ...
