A time-reversible integrator for the time-dependent Schrödinger equation on an adaptive grid

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High-order geometric integrators for the variational Gaussian wavepacket dynamics and application to vibronic spectra at finite temperature

Roya Moghaddasi Fereidani

Molecular quantum dynamics simulations are essential for understanding many fundamental phenomena in physics and chemistry. They often require solving the time-dependent Schrödinger equation for molecular nuclei, which is challenging even for medium-sized ...

EPFL2024

A cut-cell method for the numerical simulation of 3D multiphase flows with strong interfacial effects

Marco Picasso, Alexandre Caboussat, Julien Hess, Alexandre Masserey

We present a numerical model for the approximation of multiphase flows with free surfaces and strong interfacial effects. The model relies on the multiphase incompressible Navier-Stokes equations, and includes surface tension effects on the interfaces betw ...

Academic Press Inc Elsevier Science2024

Unified Harmonic Power-Flow and Stability Analysis of Power Grids with Converter-Interfaced Distributed Energy Resources

Johanna Kristin Maria Becker

Modern power distribution systems are experiencing a large-scale integration of Converter-Interfaced Distributed Energy Resources (CIDERs). Their presence complicates the analysis and mitigation of harmonics, whose creation and propagation may be amplified ...

EPFL2024

Applications of the thawed Gaussian approximation to electronic spectroscopy

Eriks Kletnieks

The exploration of electronically excited states and the study of diverse photochemical and photophysical processes are the main goals of molecular electronic spectroscopy. Exact quantum-mechanical simulation of such experiments is, however, beyond current ...

EPFL2024

From low-rank retractions to dynamical low-rank approximation and back

Daniel Kressner, Axel Elie Joseph Séguin, Gianluca Ceruti

In algorithms for solving optimization problems constrained to a smooth manifold, retractions are a well-established tool to ensure that the iterates stay on the manifold. More recently, it has been demonstrated that retractions are a useful concept for ot ...

Springer2024

Analytical Computation of the Sensitivity Coefficients in Hybrid AC/DC Networks

Mario Paolone, Willem Lambrichts

In this paper, we present a model for the analytical computation of the power flow sensitivity coefficients (SCs) for hybrid AC/DC networks. The SCs are defined as the partial derivates of the nodal voltages with respect to the active and reactive power in ...

2024

Functional-Basis Analysis of Non-Stationary Signals in Modern Power Grids: Theory and Implementation in Embedded Systems

Alexandra Cameron Karpilow

Situational awareness strategies are essential for the reliable and secure operation of the electric power grid which represents critical infrastructure in modern society. With the rise of converter-interfaced renewable generation and the consequent shift ...

EPFL2024

Error assessment of an adaptive finite elements-neural networks method for an elliptic parametric PDE

Marco Picasso, Maude Girardin, Alexandre Caboussat

We present a finite elements-neural network approach for the numerical approximation of parametric partial differential equations. The algorithm generates training data from finite element simulations, and uses a data -driven (supervised) feedforward neura ...

Elsevier Science Sa2024

Changes in spatial self-consciousness elicit grid cell–like representation in the entorhinal cortex

Olaf Blanke, Emanuela De Falco, Baptiste Gauthier, Louis Philippe Albert, Hyeongdong Park, Hyukjun Moon, Corentin Marie Hervé Robert Tasu

Grid cells in the entorhinal cortex (EC) encode an individual’s location in space, integrating both environmental and multisensory bodily cues. Notably, body-derived signals are also primary signals for the sense of self. While studies have demonstrated th ...

2024

Error estimates for SUPG-stabilised Dynamical Low Rank Approximations

Fabio Nobile, Thomas Simon Spencer Trigo Trindade

We perform an error analysis of a fully discretised Streamline Upwind Petrov Galerkin Dynamical Low Rank (SUPG-DLR) method for random time-dependent advection-dominated problems. The time integration scheme has a splitting-like nature, allowing for potenti ...

Springer Nature Switzerland2025

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High-order geometric integrators for the variational Gaussian wavepacket dynamics and application to vibronic spectra at finite temperature

Roya Moghaddasi Fereidani

EPFL2024