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

Publications associées (30)

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

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, Alexandre Masserey, Julien Hess

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

Maude Girardin, Marco Picasso, 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, Hyeongdong Park, Baptiste Gauthier, Emanuela De Falco, Louis Philippe Albert, Hyukjun Moon

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

Advanced control strategies to exploit the hydropower potential enhancing ancillary services provision to the power system

Francesco Gerini

The European Union's Green Deal aims for a 55% reduction in greenhouse gas emissions by 2030. To reach this goal, a massive integration of Renewable Energy Sources (RES) into the power grid is necessary. As RES become a large part of the electricity genera ...

EPFL2024

Residual-based attention in physics-informed neural networks

Nikolaos Stergiopoulos, Sokratis Anagnostopoulos

Driven by the need for more efficient and seamless integration of physical models and data, physics -informed neural networks (PINNs) have seen a surge of interest in recent years. However, ensuring the reliability of their convergence and accuracy remains ...

Elsevier Science Sa2024

Estimation of the bar stress based on crack width measurements in reinforced concrete structures

Aurelio Muttoni, Enrique Corres Sojo

Estimating the stress of reinforcing bars and its variations in service conditions can be useful to determine the reserve capacity of structures or to assess the risk of fatigue in the reinforcement. This paper investigates the use crack width measurements ...

Ernst & Sohn2024

Modeling friction and wear using an adaptive discrete-continuum coupling

Manon Eugénie Voisin--Leprince

When two objects slide against each other, wear and friction occur at their interface. The accumulation of wear forms what is commonly referred to as a ``third-body''. Understanding third-body evolution has significant applications in industry, where contr ...

EPFL2024

A Reduced Order Model for Domain Decompositions with Non-conforming Interfaces

Alfio Quarteroni, Andrea Manzoni

In this paper, we propose a reduced-order modeling strategy for two-way Dirichlet-Neumann parametric coupled problems solved with domain-decomposition (DD) sub-structuring methods. We split the original coupled differential problem into two sub-problems wi ...

Springer/Plenum Publishers2024

On the prediction of the induced damage by the start-up sequence of Francis turbines: On operational resilience framework

Mario Paolone, Christophe Nicolet, Elena Vagnoni, Martin Seydoux

The number of transient operations in hydraulic machinery connected to power grid, notably start-ups and shut-downs, has observed a substantial increase in recent decades, primarily driven by the global shift toward intermittent renewable energy sources. S ...

Pergamon-Elsevier Science Ltd2024

GreenEVT: Greensboro Electric Vehicle Testbed

Nils Gustav Nilsson

The ongoing electrification of the transportation fleet will increase the load on the electric power grid. Since both the transportation network and the power grid already experience periods of significant stress, joint analyses of both infrastructures wil ...

Ieee-Inst Electrical Electronics Engineers Inc2024

SPACE-TIME REDUCED BASIS METHODS FOR PARAMETRIZED UNSTEADY STOKES EQUATIONS

Simone Deparis, Riccardo Tenderini

In this work, we analyze space-time reduced basis methods for the efficient numerical simulation of haemodynamics in arteries. The classical formulation of the reduced basis (RB) method features dimensionality reduction in space, while finite difference sc ...

Siam Publications2024

Variational quantum time evolution without the quantum geometric tensor

Giuseppe Carleo, Jannes Willy E. Nys, Riccardo Rossi, Julien Sebastian Gacon

Realand imaginary -time quantum state evolutions are crucial in physics and chemistry for exploring quantum dynamics, preparing ground states, and computing thermodynamic observables. On near -term devices, variational quantum time evolution is a promising ...

Amer Physical Soc2024

Federated Reinforcement Learning for Electric Vehicles Charging Control on Distribution Networks

Wei Chen, Yuning Jiang, Xin Liu

With the growing popularity of electric vehicles (EVs), maintaining power grid stability has become a significant challenge. To address this issue, EV charging control strategies have been developed to manage the switch between vehicle-to-grid (V2G) and gr ...

Ieee-Inst Electrical Electronics Engineers Inc2024