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Publications associées (234)

Hybrid ground-state quantum algorithms based on neural Schrödinger forging

Entanglement forging based variational algorithms leverage the bipartition of quantum systems for addressing ground-state problems. The primary limitation of these approaches lies in the exponential summation required over the numerous potential basis stat ...

Amer Physical Soc2024

Duality and bicrystals on infinite binary matrices

Thomas Gerber

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 ...

2023

espm: A Python library for the simulation of STEM-EDXS datasets

Cécile Hébert, Duncan Thomas Lindsay Alexander, Nathanaël Perraudin, Hui Chen

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 ...

ELSEVIER2023

Nonlinear interactions of ion acoustic waves explored using fast imaging decompositions

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 ...

AIP Publishing2023

A Multiconfigurational Wave Function Implementation of the Frenkel Exciton Model for Molecular Aggregates

Francesco Aquilante

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 ...

AMER CHEMICAL SOC2023

A mixed precision LOBPCG algorithm

Daniel Kressner, Meiyue Shao, Yuxin Ma

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

Frequency and time domains interactions in nanophotonics

Andrei Kiselev

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

Evaluation of the role of superoxide radical as chain carrier for the formation of hydroxyl radical during ozonation

Urs von Gunten, Yan Wang, Gang Yu

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 ...

PERGAMON-ELSEVIER SCIENCE LTD2023

DARE-GRAM : Unsupervised Domain Adaptation Regression by Aligning Inverse Gram Matrices

Olga Fink, Ismail Nejjar

Unsupervised Domain Adaptation Regression (DAR) aims to bridge the domain gap between a labeled source dataset and an unlabelled target dataset for regression problems. Recent works mostly focus on learning a deep feature encoder by minimizing the discrepa ...

IEEE2023

Where is the money ? A decomposition of monetary flows behind fossil fuels

François Maréchal, Jonas Schnidrig, Xiang Li, Raphaël Briguet

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 ...

DTU Construct2022

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