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We present an implementation of the Frenkel exciton model into the OpenMolcas program package enabling calculations of collective electronic excited states of molecular aggregates based on a multiconfigurational wave function description of the individual ...
The set of finite binary matrices of a given size is known to carry a finite type AA bicrystal structure. We first review this classical construction, explain how it yields a short proof of the equality between Kostka polynomials and one-dimensional sums t ...
We present two open-source Python packages: "electron spectro-microscopy"(espm) and "electron microscopy tables"(emtables). The espm software enables the simulation of scanning transmission electron microscopy energy-dispersive X-ray spectroscopy datacubes ...
Superoxide radicals (O-2(center dot-)) have been suggested as an important chain carrier in the radical chain reaction that promotes ozone (O-3) decomposition to hydroxyl radicals ((OH)-O-center dot) during ozonation. However, due to the difficulty in meas ...
Fast camera imaging is used to study ion acoustic waves propagating azimuthally in a magnetized plasma column. The high-speed image sequences are analyzed using proper orthogonal decomposition and 2D Fourier transform, allowing to evaluate the assets and d ...
Recent transformer language models achieve outstanding results in many natural language processing (NLP) tasks. However, their enormous size often makes them impractical on memory-constrained devices, requiring practitioners to compress them to smaller net ...
The locally optimal block preconditioned conjugate gradient (LOBPCG) algorithm is a popular approach for computing a few smallest eigenvalues and the corresponding eigenvectors of a large Hermitian positive definite matrix A. In this work, we propose a mix ...
SPRINGER2023
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The accurate, robust and efficient transfer of the deformation gradient tensor between meshes of different resolution is crucial in cardiac electromechanics simulations. This paper presents a novel method that combines rescaled localized Radial Basis Funct ...
Lausanne2023
In this thesis, we discuss the problems of scattering and optical manipulation related to nanosystems of different complexities. The multipolar decomposition method is used to represent scattering processes in nanosystems as a series of elementary excitati ...
EPFL2023
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Transition from fossils to renewables is leading to radical societal changes. Shifting the capital from fossils to renewables is commonly accompanied with political concerns, such as energy autonomy, domestic employment etc. Despite a decreasing trend in r ...