Berkeley Lab Scientific Computing Seminar

Date:

Friday, October 19, 2007

Time:

1:00pm-2:00pm

Location:

Building 50A-5132

Seminar Speaker:

Joshua Schrier
Scientific Computing Group
Computational Research Division
LBNL

Title:

Using High Performance Computing to Design Solar Energy Materials

Abstract:

There is once again widespread scientific and political awareness of the scarcity, geopolitical instability, and environmental-consequences of fossil fuel use. Unlike the last time that massive research funding was directed at this problem thirty years ago, two powerful new tools have emerged: nanoscience and high-performance computing (HPC). In this talk, I will discuss two examples of how HPC has been used to design and improve molecular/nanostructured systems for solar energy utilization applications. First, I will discuss the design of inorganic semiconductor nano-heterostructure systems, in which we have used planewave pseudopotential density functional calculations to engineer the optical properties. Second, I will discuss the use of quantum chemistry methods to design new organic semiconductor materials with enhanced transport properties. Throughout the talk, I will highlight the role of HPC in the present (and future) efforts.

Sponsor of Seminar:

Lin-Wang Wang

Scientific Computing

Contact Esmond G. Ng EGNg@lbl.gov