Subject: Electronic Structure Symposium in NYC

From: Anna Krylov <[email-masked]>
Date: Thu, 27 Feb 2003 14:48:55 -0800 (PST)

An international symposium entitled "Making and breaking chemical
bonds in gas and condensed phases: Theory and Applications" will
be held at the 226th National ACS Meeting in New York during
September 7-11, 2003. The symposium will highlight recent
developments in electronic structure methodology targeting
the description of bond-breaking processes. The symposium
views bond-breaking in the broadest possible terms, ranging
> from small gas phase molecules that can be studied with the most
accurate quantum chemical methods to materials and biomaterials
that require innovative hybrid methods. Topics include
multi-reference and coupled-cluster methods, density
functional  theory, extensions to macro- and bio- systems,
as well as cutting-edge  applications to photochemical and
chemical reactions. The symposium will be a 4-day event
(eight half-day sessions), and will also include poster
sessions (as a subgroup of the Physical Chemistry poster
sessions). Contributed papers are welcomed, and poster
presentations are also strongly encouraged. The deadline
for submitting an abstract on OASYS (http://oasys.acs.org/oasys.htm)
is April 11.  Invited talks will be 40 minutes long, including
5-10 minutes for discussion. Contributed talks will be 20
minutes long, including 4 minutes for questions.

Conference website: http://www-rcf.usc.edu/~krylov/ACSNY/bbm2003.html

Organizers:
Prof. Anna I. Krylov (USC), http://www-rcf.usc.edu/~krylov
and
Prof. Mark S. Gordon (ISU/Ames NL), http://www.msg.ameslab.gov

Invited speakers:
Roi Baer (The Hebrew University of Jerusalem)
Kim Baldridge (UCSD, SDSC)
Rodney Bartlett (U. of Florida)
Maria Bartelt (Livermore NL)
Emily Carter (UCLA)
Galina Chaban (NASA-Ames)
Daniel Crawford (Virginia Tech)
Graham Fletcher (NASA-Ames)
Richard Friesner (Columbia)
Robert Harrison (Oak Ridge NL)
Martin Head-Gordon (UC Berkeley)
So Hirata (Pacific Northwest NL)
Steven Gwaltney (Mississippi State)
Joe Ivanic (NCI)
Jan Jensen (U. of Iowa)
Elfi Kraka (Goteborg University, Sweden)
Haruyuki Nakano (Tokyo U.)
Alexandr Nemukhin (Moscow State)
Marcel Nooijen (U. of Waterloo)
Massimo Olivucci (Universita di Siena)
Piotr Piecuch (Michigan State)
Jamie Rintelman (Iowa State/Ames NL)
Julia Rice (IBM)
Michael Schmidt (Iowa State/Ames NL)
Sason Shaik (The Hebrew University of Jerusalem)
Yihan Shao (UC Berkeley/Q-Chem)
David Sherrill (Georgia Tech)
Lyudmila Slipchenko (USC)
Xueyu Song (Iowa State)
John  Stanton (Texas, Austin)
Theresa Windus (Pacific Northwest NL)
Weitao Yang (Duke U.)

Sponsors: IBM, Petroleum Research Fund, Q-Chem

	"Every attempt to employ mathematical methods in the study
	of chemical questions must be considered profoundly
	irrational and contrary to the spirit of chemistry.  If
	mathematical analysis should ever hold a prominent place
	in chemistry - an aberration which is happily almost
	impossible - it would occasion a rapid and widespread
	degeneration of that science."
					A. Comte (1830)