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

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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 ...

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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 ...

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 ...

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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 ...

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 ...

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 ...

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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 ...

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 ...

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 ...

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 ...

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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 ...

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 ...

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 ...

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 ...

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

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

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

Applications of the thawed Gaussian approximation to electronic spectroscopy

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

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

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

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

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

Error estimates for SUPG-stabilised Dynamical Low Rank Approximations

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

Residual-based attention in physics-informed neural networks

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

Modeling friction and wear using an adaptive discrete-continuum coupling

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

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

GreenEVT: Greensboro Electric Vehicle Testbed

SPACE-TIME REDUCED BASIS METHODS FOR PARAMETRIZED UNSTEADY STOKES EQUATIONS

Variational quantum time evolution without the quantum geometric tensor

Federated Reinforcement Learning for Electric Vehicles Charging Control on Distribution Networks