Michael Drummond

Oak Ridge National Laboratory

Projects

Fundamental Assessment of the Accuracy of Time-Dependent Density Functional Theory

Lead Institution

Oak Ridge National Laboratory

Principal Investigator

Michael Drummond

Project type

Capability Research

Time-dependent density functional theory (TD-DFT) has become an increasingly popular technique for addressing electronically excited states of molecules. As evidence of its success, TD-DFT has found…

Chemical Discovery Through Advanced Computing

Lead Institution

University of Tennessee

Principal Investigator

Robert Harrison

Project type

Exploratory Research

We plan to model using classical and quantum approaches the novel electronic and optical properties of single molecule PPV (MPV) systems on glass substrates. This is in collaboration with…