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Concept

Principe variationnel

Publications associées (28)

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

On the relationship between the multi-region relaxed variational principle and resistive inner-layer theory

Joaquim Loizu Cisquella

We show that the variational energy principle of the multi-region relaxed magnetohydrodynamic (MRxMHD) model can be used to predict finite-pressure linear tearing instabilities. In this model, the plasma volume is sliced into sub-volumes separated by 'idea ...

2023

Heteroclinic orbits for a system of amplitude equations for orthogonal domain walls

Boris Buffoni

Using a variational method, we prove the existence of heteroclinic solutions for a 6-dimensional system of ordinary differential equations. We derive this system from the classical Benard-Rayleigh problem near the convective instability threshold. The cons ...

ACADEMIC PRESS INC ELSEVIER SCIENCE2023

Identifying invariant solutions of wall-bounded three-dimensional shear flows using robust adjoint-based variational techniques

Tobias Schneider, Omid Ashtari

Invariant solutions of the Navier-Stokes equations play an important role in the spatiotemporally chaotic dynamics of turbulent shear flows. Despite the significance of these solutions, their identification remains a computational challenge, rendering many ...

Cambridge University Press2023

Hamiltonian reconstruction as metric for variational studies

Giuseppe Carleo

Variational approaches are among the most powerful techniques to approximately solve quantum many-body problems. These encompass both variational states based on tensor or neural networks, and parameterized quantum circuits in variational quantum eigensolv ...

2022

An efficient quantum algorithm for the time evolution of parameterized circuits

Giuseppe Carleo, Filippo Vicentini, Stefano Barison

We introduce a novel hybrid algorithm to simulate the real-time evolution of quantum systems using parameterized quantum circuits. The method, named "projected - Variational Quantum Dynamics" (p-VQD) realizes an iterative, global projection of the exact ti ...

VEREIN FORDERUNG OPEN ACCESS PUBLIZIERENS QUANTENWISSENSCHAF2021

Numerical Methods for First and Second Order Fully Nonlinear Partial Differential Equations

Dimitrios Gourzoulidis

This thesis focuses on the numerical analysis of partial differential equations (PDEs) with an emphasis on first and second-order fully nonlinear PDEs. The main goal is the design of numerical methods to solve a variety of equations such as orthogonal maps ...

EPFL2021

A gyrokinetic model for the plasma periphery of tokamak devices

Paolo Ricci, Paolo De Los Rios, Rogério Manuel Cabete De Jesus Jorge, Baptiste Jimmy Frei

A gyrokinetic model is presented that can properly describe large and small amplitude electromagnetic fluctuations occurring on scale lengths ranging from the electron Larmor radius to the equilibrium perpendicular pressure gradient scale length, and the a ...

Cambridge University Press2020

Quantum Monte Carlo approach to the non-equilibrium steady state of open quantum systems

Alexandra Nagy

Many-body open quantum systems are exposed to an essentially uncontrollable environment that acts as a source of decoherence and dissipation. As the exact treatment of such models is generally unfeasible, it is favourable to formulate an approximate descri ...

EPFL2020

Multithermal-Multibaric Molecular Simulations from a Variational Principle

Pablo Miguel Piaggi

We present a method for performing multithermal-multibaric molecular dynamics simulations that sample entire regions of the temperature-pressure (TP) phase diagram. The method uses a variational principle [Valsson and Parrinello, Phys. Rev. Lett. 113, 0906 ...

2019

Variational Quantum Monte Carlo Method with a Neural-Network Ansatz for Open Quantum Systems

Vincenzo Savona, Alexandra Nagy

The possibility to simulate the properties of many-body open quantum systems with a large number of degrees of freedom (d.o.f.) is the premise to the solution of several outstanding problems in quantum science and quantum information. The challenge posed b ...

AMER PHYSICAL SOC2019

Concentration phenomena for a fractional Choquard equation with magnetic field

Tomohiko Sano

We consider the following nonlinear fractional Choquard equation epsilon(2s) (-Delta)(A/epsilon)(s) u + V(x)u = epsilon(mu-N) (1/vertical bar x vertical bar(mu) * F vertical bar mu vertical bar(2))) f(vertical bar u vertical bar(2))u in R-N, where epsilon ...

2019

Hyperaccurate currents in stochastic thermodynamics

Daniel Maria Busiello

Thermodynamic observables of mesoscopic systems can be expressed as integrated empirical currents. Their fluctuations are bound by thermodynamic uncertainty relations. We introduce the hyperaccurate current as the integrated empirical current with the leas ...

AMER PHYSICAL SOC2019

Computing heteroclinic orbits using adjoint-based methods

Michele De Palma, Tobias Schneider, Mirko Farano

Transitional turbulence in shear flows is supported by a network of unstable exact invariant solutions of the Navier-Stokes equations. The network is interconnected by heteroclinic connections along which the turbulent trajectories evolve between invariant ...

Cambridge University Press2018

A multisymplectic integrator for elastodynamic frictionless impact problems

Tudor Ratiu, François Gay-Balmaz, François Marie Alain Demoures

We present a structure preserving numerical algorithm for the collision of elastic bodies. Our integrator is derived from a discrete version of the field-theoretic (multisymplectic) variational description of nonsmooth Lagrangian continuum mechanics, combi ...

Elsevier2017

Thermal spin torques in magnetic insulators

Yi Zhang, Jean-Philippe Ansermet, Cheng Zhao, Haiming Yu, Sylvain Bréchet, Ping Che, Sa Tu, Francesco Antonio Vetrò

The damping of spin waves transmitted through a two-port magnonic device implemented on a yttrium iron garnet thin film is shown to be proportional to the temperature gradient imposed on the device. The sign of the damping depends on the relative orientati ...

Amer Physical Soc2017

On the statistical physics of chains and rods, with application to multi-scale sequence-dependent DNA modelling

Alexandre Emmanuel Grandchamp

The complex mechanisms involved in cellular processes have been increasingly understood this past century and the central role of the DNA molecule has been recognized. The base pair sequence along a DNA fragment is observed not only to encode the genomic i ...

EPFL2016

Orlicz regularity of the gradient of solutions to quasilinear elliptic equations in the plane

Linda Maria De Cave

Given a planar domain Omega, we study the Dirichlet problem {-divA(x, del v) = f in Omega, v = 0 on partial derivative Omega, where the higher-order term is a quasilinear elliptic operator, and f belongs to the Zygmund space L(log L)delta(log log log L)(be ...

2016

Variational minimization of orbital-density-dependent functionals

Nicola Marzari, Giovanni Borghi

Orbital-density-dependent functionals, such as the Perdew-Zunger or the Koopmans-compliant functionals, are used to remove unphysical self-interaction energies and to restoremissing piece-wise linearity in approximate formulations of density-functional the ...

Amer Physical Soc2015

Variational principle for magnetisation dynamics in a temperature gradient

Jean-Philippe Ansermet, Sylvain Bréchet

By applying a variational principle on a magnetic system within the framework of extended irreversible thermodynamics, we find that the presence of a temperature gradient in a ferromagnet leads to a generalisation of the Landau-Lifshitz equation with an ad ...

IOP Publishing - EPL Association2015