Cathal Ó Broin

Institution: University of Trieste
Nationality: Irish
Email: cobroin@units.it

Starting date: June 25, 2014

Research topic: Scaling of an Arnoldi-Lanzos time propagation code for the description of molecular strong fi eld phenomena

Research abstract:
When looking at the effects induced by a laser on molecular
dynamics, a) structure, b) time propagation and c) post-analysis codes are required. The code which performs time propagation can often be the computational bottleneck. The current project aims to work on an existing Arnoldi-Lanzos time propagation code to ensure that it can scale for large to very large problems by using heterogeneous parallelisation techniques such as GPGPU, OpenMP and MPI.

Biography:
2014-Present Researcher at the Department of Chemical and Pharmaceutical
Science, University of Trieste, Italy,
2010-Present PhD in Theoretical Atomic, Molecular and Optical Physics,
Dublin City University, Ireland
2006-2010 BSc in Physics with Astronomy, Dublin City University, Ireland
Research interests: Computational Physics, Time propagation codes, Intense
laser eld and ultra-fast e ects.

Publications:
1. Cathal OBroin and L.A.A. Nikolopoulos, An OpenCL implementation
for the solution of the time-dependent Schrodinger equation
on GPUs and CPUs” Computer Physics Communications, vol. 183,
no. 10, pp. 2071 p 2080, 2012

 2. E.P. Benis, M. Bakarezos, N.A. Papadogiannis, M. Tatarakis, S. Divanis, C. O Broin, and L.A.A. Nikolopoulos, Role of broadbandlaser-pulse temporal extent in h2+  photodissociation” Phys. Rev. A, vol. 86, pp. 043428, 2012

3. Cathal O Broin and L.A.A. Nikolopoulos, A GPGPU based program to solve the TDSE in intense laser elds through the nite di erence approach” Computer Physics Communications, vol. 85, no. 6, pp. 1791 p 1807, 2014

Conference presentations:
Parallel implementation of the TDSE on a Graphics Processing Unit (GPU) platform at the workshop Methods and Codes for Atoms and Molecules in Strong Laser Fields, COST CM0702, EPSRC CCP2 at DCU (April 2011)
Parallel implementation of the TDSE using GPUs at Nordita, Stockholm, COST CM0702, September 2011