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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 ...
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 ...
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 ...
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 ...
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 ...
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 ...
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 ...
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 ...
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 ...
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 ...