Applications of HPC in quantum mechanics - two case studies
Lunedì, 21 November, 2016 - 14:00
Aula Magna, Via Ariosto 25, I floor
The goal of the talk is to present activities of the Scientific Computing Research Group, University of Novi Sad, related to high performance computing field. For this purpose, two case studies showing how we applied HPC knowledge to current problems of quantum mechanics will be presented.
One branch of research consists of implementing numerical algorithms for both stationary and non-stationary solutions of the full three-dimensional (3D) Gross-Pitaevskii equation for a dipolar Bose-Einstein condensate. Solutions include usage of OpenMP, MPI and CUDA technologies.
The other direction involves calculation of electron structures of physical systems with a large number of atoms using density functional theory. In an effort to produce a parallel implementation capable of solving systems with tens of thousands of atoms the charge patching method is used to construct the single-particle Hamiltonian, while the overlapping fragments method (OFM) is used to find its eigenvalues and eigenfunctions using primarily MPI.
Bio: Srdjan Skrbic, PhD, is an Associate professor of Computer Science at the University of Novi Sad, Faculty of Sciences. He serves as Department of Mathematics and Informatics Assistant Head, in charge of CS & IT. He received Bachelor, Master and PhD degrees from University of Novi Sad.
Srdjan’s research interests are in the field of high performance computing and its applications in various fields of physics and mathematics, such as quantum mechanics, distributed optimization etc. He has published more than 50 scientific papers.