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Concept

Verlet integration

Related publications (28)

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

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

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

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

QuNex-An integrative platform for reproducible neuroimaging analytics

Valerio Zerbi

IntroductionNeuroimaging technology has experienced explosive growth and transformed the study of neural mechanisms across health and disease. However, given the diversity of sophisticated tools for handling neuroimaging data, the field faces challenges in ...

FRONTIERS MEDIA SA2023

Euclid: modelling massive neutrinos in cosmology a code comparison

Georges Meylan, Bo Li

The measurement of the absolute neutrino mass scale from cosmological largescale clustering data is one of the key science goals of the Euclid mission. Such a measurement relies on precise modelling of the impact of neutrinos on structure formation, which ...

Iop Publishing Ltd2023

High-order geometric integrators for the variational Gaussian approximation

Jiri Vanicek, Roya Moghaddasi Fereidani

Among the single-trajectory Gaussian-based methods for solving the time-dependent Schrödinger equation, the variational Gaussian approximation is the most accurate one. In contrast to Heller’s original thawed Gaussian approximation, it is symplectic, conse ...

2023

Retraction-based numerical methods for continuation, interpolation and time integration on manifolds

Axel Elie Joseph Séguin

The goal of this thesis is the development and the analysis of numerical methods for problems where the unknown is a curve on a smooth manifold. In particular, the thesis is structured around the three following problems: homotopy continuation, curve inter ...

EPFL2023

Hamiltonian Deep Neural Networks Guaranteeing Non-Vanishing Gradients by Design

Giancarlo Ferrari Trecate, Luca Furieri, Liang Xu, Clara Lucía Galimberti

Deep Neural Networks (DNNs) training can be difficult due to vanishing and exploding gradients during weight optimization through backpropagation. To address this problem, we propose a general class of Hamiltonian DNNs (H-DNNs) that stem from the discretiz ...

2023

Process modeling and integration of hydrogen and synthetic natural gas production in a kraft pulp mill via black liquor gasification

François Maréchal, Daniel Alexander Florez Orrego, Meire Ellen Gorete Ribeiro Domingos

The black liquor gasification integrated to chemical plants has shown potential for reducing the process irreversibility and promoting the decarbonization of this industrial sector. In the integrated chemical plants proposed in this work, the purpose is co ...

Pergamon-Elsevier Science Ltd2023

A Prony-based approach for accelerating the lightning electromagnetic fields computation above a perfectly conducting ground

Farhad Rachidi-Haeri, Marcos Rubinstein

Lightning strikes can seriously affect the reliability and availability of electrical infrastructures. The computation of lightning-electromagnetic fields represents one of the most crucial steps in the evaluation of the induced effects; thus, having at di ...

Elsevier2022

Geometrical Treatise on the Modelling of 3D Particulate Inclusion-Matrix Microstructures with an Application to Historical Stone Masonry Walls

Mahmoud S. M. Shaqfa

As historical stone masonry structures are vulnerable and prone to damage in earthquakes, investigating their structural integrity is important to reduce injuries and casualties while preserving their historical value. Stone masonry is a composite material ...

EPFL2022

TimeEvolver: A program for time evolution with improved error bound

Sebastian Zell

We present TimeEvolver, a program for computing time evolution in a generic quantum system. It relies on well-known Krylov subspace techniques to tackle the problem of multiplying the exponential of a large sparse matrix iH, where His the Hamiltonian, with ...

ELSEVIER2022

TCB-spline-based isogeometric analysis method with high-quality parameterizations

Xiaodong Wei

Isogeometric analysis (IGA) was introduced to integrate methods for analysis and computer-aided design (CAD) into a unified process. High-quality parameterization of a physical domain plays a crucial role in IGA. However, obtaining high-quality parameteriz ...

ELSEVIER SCIENCE SA2022

Efficient geometric integrators for the linear and nonlinear time-dependent Schrödinger equation

Julien Roulet

Many physical and chemical reactions are driven by nonadiabatic processes, which imply the breakdown of the celebrated Born-Oppenheimer approximation. To understand these processes, experimentalists employ spectroscopic techniques. However, the obtained re ...

EPFL2022

Analytical Expressions for Lightning Electromagnetic Fields With Arbitrary Channel-Base Current. Part II: Validation and Computational Performance

Farhad Rachidi-Haeri, Marcos Rubinstein

This article provides the implementation procedure, the validation, and some considerations on the computational efforts of the analytical expressions developed for the lightning electromagnetic fields presented in the companion paper. The validation is pr ...

2021

Time-reversible and norm-conserving high-order integrators for the nonlinear time-dependent Schrödinger equation: Application to local control theory

Jiri Vanicek, Julien Roulet

The explicit split-operator algorithm has been extensively used for solving not only linear but also nonlinear time-dependent Schrödinger equations. When applied to the nonlinear Gross–Pitaevskii equation, the method remains time-reversible, norm-conservin ...

2021

KPC: Learning-Based Model Predictive Control with Deterministic Guarantees

Colin Neil Jones, Yuning Jiang, Emilio Maddalena, Paul Scharnhorst

We propose Kernel Predictive Control (KPC), a learning-based predictive control strategy that enjoys deterministic guarantees of safety. Noise-corrupted samples of the unknown system dynamics are used to learn several models through the formalism of non-pa ...

2021

An implicit split-operator algorithm for the nonlinear time-dependent Schrödinger equation

Jiri Vanicek, Julien Roulet

The explicit split-operator algorithm is often used for solving the linear and nonlinear time-dependent Schrödinger equations. However, when applied to certain nonlinear time-dependent Schrödinger equations, this algorithm loses time reversibility and seco ...

AIP Publishing2021

How important are the residual nonadiabatic couplings for an accurate simulation of nonadiabatic quantum dynamics in a quasidiabatic representation?

Jiri Vanicek, Seonghoon Choi

Diabatization of the molecular Hamiltonian is a standard approach to remove the singularities of nonadiabatic couplings at conical intersections of adiabatic potential energy surfaces. In general, it is impossible to eliminate the nonadiabatic couplings en ...

2021