Current Projects in Atomic, Molecular and Optical Physics. Mentored by Dr. Lampros Nikolopoulos
Project 1: Theory and computation of physical processes of complex atomic systems in strong electromagnetic fields
Ph.D candidate: Damien Middleton (IRCSET 2010)
The aim of this project is to develop a theoretical and computational framework capable of describing the dynamics of a multielectron atomic system exposed to strong and/or ultra-short radiation, particularly the free-electron laser produced radiation. In terms of radiation characteristics the applicability of the theory ranges from the far infrared (fraction of eV) to the soft X-ray (keV) spectral band and pulse durations from attoseconds to hundreds of femtoseconds.
From the mathematical point of view, the TDSE is a complex multidimensional partial-differential equation (PDE) in time and space. The spatial dimensionality of this PDE depends exclusively on the number of electrons in the quantum system. The computational treatment of the problem includes the finite element approach, based on B-spline piecewise polynomials, so that a transformation of the original PDE (TDSE) to a coupled system of 1st-order ordinary differential equations (ODE). The resulting matrix equations are propagated in time with various numerical approaches (RK45, Lanczos) as well as with in-house algorithms.
Project 2: Development of a Graphics Processing Unit (GPU) algorithm for the description of atomic and molecular systems in strong radiation fields
Ph.D Candidate: Cathal Ó Broin (European Re-Integration)
In the past two decades there have been several changes in various directions in the computational infrastructure. The Beowulf-CPU-based approach, constitutes a very attractive supercomputing architecture for medium size institutional and academic organizations, since its requirements in terms of economical, hardware, software and technical support resources are the lowest possible.
In this project we apply the GPU programming model, that has appeared recently due to the availability of higher level languages, such as the OpenCL variant of C99, which are compiled to run directly on the GPU. The major advantage of the GPU architecture is the large number of cores present inside a single GPU (over a 1000 for the most powerful). Thus a desktop supercomputing environment appears feasible in the next coming years. Furthermore, a Beowulf-GPU based model approach will offer a very powerful supercomputing workstation at low cost, which can be a strong-candidate solution for medium-size institutes.
We intend to develop black-box GPU-based routines which perform three particular mathematical operations, namely the matrix-vector multiplication, linear equation solution and matrix diagonalization. Our goal is the drastic reduction of the computational cost for a number of important scientific problems.
Last Updated ( Monday, 21 February 2011 15:27 )