Ehrenfest dynamics is a useful approximation for ab initio mixed quantum-classical molecular dynamics that can treat electronically nonadiabatic effects. Although a severe approximation to the exact solution of the molecular time-dependent Schrödinger equa ...
In this thesis, an experimental study of low-temperature stereodynamics in the reactive scattering of Ne(3P2) + X collisions (X = Ar, Kr, Xe, CO and N2) is presented. The steric effect of Ne(3P2) in these reactions is observed experimentally using a contro ...
An existence result is presented for the dynamical low rank (DLR) approximation for random semi-linear evolutionary equations. The DLR solution approximates the true solution at each time instant by a linear combination of products of deterministic and sto ...
In a seminal work, Micciancio and Voulgaris (SIAM J Comput 42(3):1364-1391, 2013) described a deterministic single-exponential time algorithm for the closest vector problem (CVP) on lattices. It is based on the computation of the Voronoi cell of the given ...
Combining diffusion strategies with complementary properties enables enhanced performance when they can be run simultaneously. In this article, we first propose two schemes for the convex combination of two diffusion strategies, namely, the power-normalize ...
We propose a non-intrusive reduced basis (RB) method for parametrized nonlinear partial differential equations (PDEs) that leverages models of different accuracy. From a collection of low-fidelity (LF) snapshots, parameter locations are extracted for the e ...
Many scientific inquiries in natural sciences involve approximating a spherical field -namely a scalar quantity defined over a continuum of directions- from generalised samples of the latter (e.g. directional samples, local averages, etc). Such an approxim ...
Diffusion adaptation is a powerful strategy for distributed estimation and learning over networks. Motivated by the concept of combining adaptive filters, this work proposes a combination framework that aggregates the operation of multiple diffusion strate ...
A major line of work in graph signal processing [2] during the past 10 years has been to design new transform methods that account for the underlying graph structure to identify and exploit structure in data residing on a connected, weighted, undirected gr ...
