Presentation: High Performance Computing in Materials Science – Non-local Correlation and Electrostatics

Research Computing will be hosting Dr. Predrag Lazic in the Physics Library at 4:00 PM Monday, June 3rd.

Title: High performance computing in materials science – non-local correlation and electrostatics.

Abstract:

In this talk we will present two projects from materials science that are closely related to HPC. The first project which resulted in the code called JuNoLo was one of the first implementations of the vdW-DF density functional which by inclusion of nonlocal correlation covered for the van der Waals interaction in ab initio calculations. The code was implemented for massively parallel runs which were done on a BlueGene/P machines. The second project will present the Robin Hood method which has origins in materials science problem – but ended up as a numerical method for solving electrostatic problems via Boundary Elements Methods.

Presenter: Dr. Predrag Lazic, Rudjer Boskovic Institute

Predrag Lazic – born in 1975 in Zagreb, Croatia. Predrag attained his PhD in theoretical physics (surface science) from the University of Zagreb in 2007. After graduation he went to FZ-Juelich in Germany as a Alexander von Humboldt postdoctoral fellow with Stefan Bluegel.

In 2010 Dr. Lazic started a postdoc at MIT in Gerbrand Ceder’s group. Since 2012 he has held a permanent position at Rudjer Boskovic Institute at Zagreb – currently as senior research associate. He has published around 80 research papers from surface science, materials science and numerical methods.

https://physics.missouri.edu/event/high-performance-computing-materials-science-nonlocal-correlation-and-electrostatics-0

 

May 31, 2019