2011 Time-Dependent Density Functional Theory GRC

Gordon Research Conferences, East Greenwich RI

Investigators

Abstract

Filipp Furche of the University of California, Irvine, Nancy Gray of the Gordon Research Conferences and Troy Van Voorhis of the Massachusetts Institute of Technology are supported by an award from the Theory, Models and Computational Methods program in the Chemistry Division to help fund the 2011 Time-Dependent Density Functional Theory Gordon Research Conference. The award is also supported by the Condensed Matter and Materials Theory program in the Division of Materials Research. In recent years, time-dependent density-functional theory (TDDFT) has emerged as a low-cost, general purpose approach to time-dependent many-body quantum mechanics. The conference focus is on three questions: (i) What are the major challenges facing the field, (ii) what can TDDFT learn from other methods and vice versa, (iii) how can TDDFT be applied in new areas? Session topics will include fundamentals of TDDFT, electronic excited states (TDDFT and beyond), density matrix functional theory, photochemistry, solar energy conversion, functional development, real-time dynamics, optical properties, and van der Waals interactions. TDDFT has become an essential tool used by researchers in photochemistry, atmospheric chemistry, solar energy conversion, materials science, biophysics, laser physics, physical chemistry and condensed matter physics The 2011 Gordon Research Conference (GRC) on TDDFT will bring together developers and users of TDDFT to share the latest theoretical developments and discuss their application to grand challenge problems in chemistry, physics, and materials science. A major aim of this conference is to facilitate interaction between established world leaders in the field of DFFT and younger scientists. NSF support of this conference is aimed at enabling junior scientists to attend and participate, including assistant professors, postdoctoral research associates and graduate students. The selection of speakers and discussion leaders reflects the organizers' strong commitment to achieve diversity in gender, underrepresented minorities, state of career, and geographical origin.