Theory and Computation for Interface Science and Catalysis: Fundamentals, Research and Hands on Engagement using VASP

Session

Fundamentals of Electronic Structure of Materials and Density Functional Theory

3 Nov 2014, 08:29

CFN, Bldg. 735, Seminar Room (Brookhaven National Laboratory)

Description

Overview of materials challenges in the energy arena. Introduction to essential methodologies used to compute the properties of materials, including basics of DFT methodologies.