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.

Project Report

The Gordon Research Conference on TIME-DEPENDENT DENSITY-FUNCTIONAL THEORY was held at the University of New England, Biddeford, Maine, August 14 – 19, 2011. . The Conference was well-attended with 84 participants (attendees list attached). The attendees represented the spectrum of endeavor in this field coming from academia, industry, and government laboratories, both U.S. and foreign scientists, senior researchers, young investigators, and students. Of the 84 attendees, 34 voluntarily responded to a general inquiry regarding ethnicity which appears on our registration forms. Of the 34 respondents, 15% were Minorities – 0% Hispanic, 15% Asian and 0% African American. Approximately 15% of the participants at the 2011 meeting were women. In designing the formal speakers program, emphasis was placed on current unpublished research and discussion of the future target areas in this field. There was a conscious effort to stimulate lively discussion about the key issues in the field today. Time for formal presentations was limited in the interest of group discussions. In order that more scientists could communicate their most recent results, poster presentation time was scheduled. Attached is a copy of the formal schedule and speaker program and the poster program. In addition to these formal interactions, "free time" was scheduled to allow informal discussions. Such discussions are fostering new collaborations and joint efforts in the field. Thank you for your support of this Conference. As you know, in the interest of promoting the presentation of unpublished and frontier-breaking research, Gordon Research Conferences does not permit publication of meeting proceedings

Agency
National Science Foundation (NSF)
Institute
Division of Chemistry (CHE)
Type
Standard Grant (Standard)
Application #
1112627
Program Officer
Evelyn M. Goldfield
Project Start
Project End
Budget Start
2011-05-01
Budget End
2012-04-30
Support Year
Fiscal Year
2011
Total Cost
$7,000
Indirect Cost
Name
Gordon Research Conferences
Department
Type
DUNS #
City
West Kingston
State
RI
Country
United States
Zip Code
02892