Keynote Speakers 2005

4th MERCURY CONFERENCE IN
COMPUTATIONAL CHEMISTRY

KEYNOTE SPEAKERS

Wednesday, July 27 to Friday, July 29, 2005


Ann E. Mattsson, PhD.

Computational Materials & Molecular Biology MS 1110
Sandia National Laboratories
Albuquerque, NM
aematts@sandia.gov
http://dft.sandia.gov/
http://www.cs.sandia.gov/~aematts/

“Designing meaningful density functional theory calculations in materials science—a primer”,
Ann E. Mattsson, Peter A. Schultz, Michael P. Desjarlais, Thomas R. Mattsson, and Kevin Leung in Modelling Simul. Mater. Sci. Eng. 13 R1-R31 (2005).
Abstract

I am also in charge of the DFT pages at Sandia: http://dft.sandia.gov/
This is the “General” link from my home page. The  ‘Functional development‘ link is to an abstract and a slideshow explaining my work in this area. I will probably include some of this material in my talk, as an expansion on the Functional part of the Review article.


John Tully

Professor
Department of Chemistry
Yale University
john.tully@yale.edu
http://www.chem.yale.edu/~tully/
Abstract


J. Ilja Siepmann

Professor of Chemistry
and, by courtesy, member of the Graduate Faculties in the fields of Chemical Physics, Chemical Engineering and Materials Science
Department of Chemistry,
University of Minnesota
siepmann@chem.umn.edu         http://www.chem.umn.edu/groups/siepmann/
Abstract


Dr. Anna Krylov, Ph.D., B.B.G.

Associate Professor of Chemistry
Department of Chemistry
University of Southern California
krylov@usc.edu
http://www-rcf.usc.edu/~krylov
Abstract
Extra Reading:
Supporting Article
Supporting Article


Dr. Adrian E. Roitberg

Associate Professor
Quantum Theory Project and Department of Chemistry
University of Florida
adrian@qtp.ufl.edu
http://www.qtp.ufl.edu/~roitberg/
Abstract


Igor V. Alabugin

Assistant Professor of Chemistry,
Department of Chemistry and Biochemistry,
Florida State University,
alabugin@chemmail.chem.fsu.edu
http://www.chem.fsu.edu/editors/alabugin/index.htm
Abstract