Calculus of variations

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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

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

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

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

Variational Methods For Continuous-Domain Inverse Problems: the Quest for the Sparsest Solution

Thomas Jean Debarre

The goal of this thesis is to study continuous-domain inverse problems for the reconstruction of sparse signals and to develop efficient algorithms to solve such problems computationally. The task is to recover a signal of interest as a continuous function ...

EPFL2022

Variational methods for finding periodic orbits in the incompressible Navier Stokes equations

Tobias Schneider, Jeremy Peter Parker

Unstable periodic orbits are believed to underpin the dynamics of turbulence, but by their nature are hard to find computationally. We present a family of methods to converge such unstable periodic orbits for the incompressible Navier-Stokes equations, bas ...

Cambridge University Press2022

Lagrangian analysis of bio-inspired vortex ring formation

Karen Ann J Mulleners, Mrudhula Baskaran

Pulsatile jet propulsion is a highly energy-efficient swimming mode used by various species of aquatic animals that continues to inspire engineers of underwater vehicles. Here, we present a bio-inspired jet propulsor that combines the flexible hull of a je ...

2022

An Efficient Sampling Algorithm for Non-smooth Composite Potentials

Nicolas Henri Bernard Flammarion

We consider the problem of sampling from a density of the form p(x) ? exp(-f (x) - g(x)), where f : Rd-+ R is a smooth function and g : R-d-+ R is a convex and Lipschitz function. We propose a new algorithm based on the Metropolis-Hastings framework. Under ...

Microtome Publishing2022

A Least-Squares Method for the Solution of the Non-smooth Prescribed Jacobian Equation

Alexandre Caboussat, Dimitrios Gourzoulidis

We consider a least-squares/relaxation finite element method for the numerical solution of the prescribed Jacobian equation. We look for its solution via a least-squares approach. We introduce a relaxation algorithm that decouples this least-squares proble ...

SPRINGER/PLENUM PUBLISHERS2022

Fermionic wave functions from neural-network constrained hidden states

Giuseppe Carleo

We introduce a systematically improvable family of variational wave functions for the simulation of strongly correlated fermionic systems. This family consists of Slater determinants in an augmented Hilbert space involving “hidden” additional fermionic deg ...

2022

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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