This award funded by the Division of Materials Research and the Physics Division provides partial support for the first Gordon Research Conference on time-dependent density-functional theory. The conference plans meet the expected standards of expertise in invited speakers and the associated merit of intellectual exchange of the highest caliber. The conference has particular merit because it focuses on time dependent density functional theory and computational approaches based on this theory. These techniques are particularly promising for the study of dynamical properties of materials and other systems composed of many interacting particles. Among the applications of this theory are the calculation: of optical properties of atoms, molecules, nanostructures, bulk materials, and matter; of how electrons move through large molecules; of the states of atoms, molecules, nanostructures in high magnetic fields and under other extreme conditions; of the states of electrons in biomolecules. With a focus on computation, this conference contributes to the cyberinfrastructure and cyberscience of the computational materials research, physics, and chemistry communities.
The impact of the conference is deemed likely to be high because (1) it is in the Gordon Research Conference style where there is an extended period of time structured to encourage interactions between participants in addition to formal presentations and (2) the topic deals specifically with one of the leading computational tools in first principles dynamic simulation techniques and (3) students and early career researchers will have an opportunity to engage internationally known experts in the field. The program addresses technique and theory, but in the majority, talks cover physical quantities that can be directly addressed through this computational tool.
NSF support will help to enhance the participation of minority and underrepresented groups at the conference, with special attention given to students and early career scientists. The conference also brings together a diverse group of international participants and so extends the experiences of domestic participants in the global scientific community.
