List of participants


William H. Adams

Rutgers University

Department of Chemistry

1208 Ursulines Avenue

New Orleans, LA 70116

USA

E-mail: adams@rutchem.rutgers.edu

Omololu Akin-Ojo

University of Delaware

Department of Physics and Astronomy

Sharp Laboratory

Newark, NJ 19716

USA

E-mail: prayerz@Udel.edu

John Ashley Alford

University of Florida

Quantum Theory Project

P. O. Box 118435

Gainesville, FL 32611-8435

USA

E-mail: alford@qtp.ufl.edu

Jean-Marie André

University of Namur

Department of Chemistry

Rue De Bruxelles 61

Namur B-5000

Belgium

E-mail: jean-marie.andre@fundp.ac.be

Marie-Claude A. André-Roeland

University of Namur

Department of Chemistry

61, Rue de Bruxelles

Namur B-5000

Belgium

E-mail: marie-claude.andre@fundp.ac.be

Daniel E. Bacelo

Metropolitan University, Puerto Rico

Department of Chemistry

P. O. Box 23346

San Juan, Puerto Rico 00931-3346

USA

E-mail: um_dbacelo@mail.SUAGM.EDU

Richard Bader

McMaster University

Department of Chemistry

1280 Main St. W.

Hamilton, Ontario L8S 4M1

Canada

E-mail: bader@mcmaster.ca

Paul S. Bagus

University of North Texas

Department of Chemistry

P. O. Box 305070

Denton, TX 76203-5070

USA

E-mail: bagus@unt.edu

Rodney J. Bartlett

University of Florida

Quantum Theory Project

P. O. Box 118435

Gainesville, FL 32611-8435

USA

E-mail: bartlett@qtp.ufl.edu

Rajiv Bendale

IBM

Life Science Solutions

4660 La Jolla Village Drive

San Diego, CA 92122

USA

E-mail: bendale@us.ibm.com

Ariana Beste

ORNL

Department of Computer Science & Mathematics Division

P. O. Box 2008, Bldg. 6012

Oak Ridge, TN 37831-6367

USA

E-mail: bestea@ornl.gov

Frank E. Blaney

GlaxoSmithKline

Department of Computational Sciences

New Frontiers Science Park (N) Third Avenue

Harlow, Essex CM19 5AW

UK

E-mail: frank_e_blaney@gsk.com

Anatol Blass

IBM

Life Science Solutions

1388 Haight Street, PMB 124

San Francisco, CA 94117

USA

E-mail: ablass@us.ibm.com

Arteum D. Bochevarov

Georgia Tech

Department of Chemistry & Biochemistry

770 State Street

Atlanta, GA 30332-0400

USA

E-mail: arteum.bochevarov@chemistry.gatech.edu

Jonathan C. Boettger

Los Alamos National Laboratory

Group X-7, Materials Science

MS F699, Box 1663

Los Alamos, NM 87545

USA

E-mail: jn@lanl.gov

Barry Bolding

IBM

Deep Computing

20028 102nd Court NE

Bothell, WA 98011

USA

E-mail: bbolding@us.ibm.com

Magnus Borgh

Lund Institute of Technology, Lund University

Department of Physics

Box 118

Lund, SE-221-00

Sweden

E-mail: magnus.borgh@matfys.lth.se

Edward A. Boudreaux

University of New Orleans

Department of Chemistry

Lake Front

New Orleans, LA 70148

USA

E-mail: eabcm3@uno.edu

Ria Broer

University of Groningen

Materials Science Centre

Nijenborgh 4

Groningen AG 9747

The Netherlands

E-mail: broer@chem.rug.nl

Anders Broo

AstraZeneca R&D

Medicinal Chemistry

Pepparrleden 3

Molndal 431 83

Sweden

E-mail: anders.broo@astrazeneca.com

Shawn T. Brown

QCHEM

5001 Baum Boulevard, Suite 690

Pittsburgh, PA 15213

USA

E-mail: office@q-chem.com

Thomas C. Brunold

University of Wisconsin

Department of Chemistry

1101 University Avenue

Madison, WI 53706

USA

E-mail: brunold@chem.wisc.edu

Rafael Bruschweiler

Florida State University

Department of Chemistry and Biochemistry

Dittmer Street

Tallahassee, FL 32306

USA

E-mail: bruschweiler@nmr.clarku.edu

Douglas Buster

IBM

Healthcare and Life Sciences

1505 LBJ Freeway, 5th Floor

Dallas, TX 75234

USA

E-mail: buster@us.ibm.com

Christian Buth

Max-Planck-Institut für Physik Komplexer Systeme

Nothnitzer Strasse 38

Dresden 01187

Germany

E-mail: cbuth@mpipks-dresden.mpg.de

Markus Buttiker

University of Geneva

Department of Theoretical Physics

24 Qual E. Ansermet

Geneva, Geneva CH1211

Switzerland

E-mail: markus.buttiker@physics.unige.ch

Sylvio Canuto

Universidade de São Paulo

Instituto de Fisica

P. O. Box 66318

Sao Paulo SP 05315-970

Brazil

E-mail: canuto@if.usp.br

Chao Cao

University of Florida

Quantum Theory Project

P. O. Box 118435

Gainesville, FL 32611-8435

USA

E-mail: chao@qtp.ufl.edu

Klaus Capelle

University of São Paulo

Fisica e Informatica

CP 369

São Paulo SP 13560-970

Brazil

E-mail: capelle@if.sc.usp.br

David A. Case

Scripps Research Institute

Department of Molecular Biology

10550 N. Torrey Pines Road

La Jolla, CA 92037

USA

E-mail: case@scripps.edu

Sidonio Castillo

Universidad Autónoma Metropolitana-Azcapotzalco

Ciencias Básicas

Av San Pablo #180, Col. Reynosa

México City DF 02200

México

E-mail: sca@correo.azc.uam.mx

Wojciech S. Cencek

University of Delaware

Department of Physics and Astronomy

Sharp Laboratory

Newark, DE 19713

USA

E-mail: cencek@physics.udel.edu

Jingguang Che

University of Florida

Department of Physics

2342 NPB #92

Gainesville, FL 32611

USA

E-mail: che@qtp.ufl.edu

Hai-Ping Cheng

University of Florida

Quantum Theory Project

P. O. Box 118435

Gainesville, FL 32611-8435

USA

E-mail: cheng@qtp.ufl.edu

Paul W. Chun

University of Florida

HSC Department of Biochem and Molecular Biology

P. O. Box 100245

Gainesville, FL 32610-0245

USA

E-mail: pwchun@biochem.med.ufl.edu

Gerardo A. Cisneros

NIEHS

Laboratory of Structural Biology

111 Alexander Dr., P. O. Box 12233 MD F0-08

Research Triangle Park, NC 27709

USA

E-mail: cisneros1@niehs.nih.gov

Tim Clark

Universität Erlangen-Nürnberg

Computer-Chemie-Centrum

Naegelsbachstrasse 25

Erlangen, Bavaria D-91052

Germany

E-mail: clark@chemie.uni-erlangen.de

Enrico Clementi

Via Carloni 38

Como I-22100

Italy

E-mail: clementi@fis.unico.it

Larry D. Cluck

IBM

Healthcare and Life Sciences Industry

2704 Gull Lake Drive

Plano, TX 75025

USA

E-mail: cluck@us.ibm.com

James M. Coffin

IBM

Life Sciences Solutions

3808 Glenshannon Lane

Flower Mound, TX 75022

USA

E-mail: jmcoffi@us.ibm.com

Clint B. Conner

Oklahoma State

Department of Physics

PSII

Stillwater, OK 74078

USA

E-mail: tpraf@okstate.edu

Giorgina Corongiu

Universita' dell' Insubria

Science Climiche e Ambientali

Via Lucini 3

Como I-22100

Italy

E-mail: giorgina.corongiu@uninsubria.it

Christina R. Crecca

University of Florida

Quantum Theory Project

P. O. Box 118435

Gainesville, FL 32611-8435

USA

E-mail: crecca@qtp.ufl.edu

Alejandro Crespo

University of Florida

Quantum Theory Project

P. O. Box 118435

Gainesville, FL 32611-8435

USA

E-mail: crespo@qtp.ufl.edu

Thomas A. Darden

NIEHS

Laboratory of Structural Biology

111 Alexander Dr, Box 1233 MD f0-08

Research Triangle Park, NC 27709

USA

E-mail: darden@niehs.nih.gov

Wibe Albert De Jong

Pacific Northwest National Laboratory

Environmental Molecular Science Laboratory

902 Battelle Blvd, P. O. Box 999

Richland, WA 99352

USA

E-mail: bert.dejong@pnl.gov

Ozlem Demir

University of Florida

Department of Chemistry

P. O. Box 118435

Gainesville, FL 32611-8435

USA

E-mail: demir@qtp.ufl.edu

Erik Deumens

University of Florida

Quantum Theory Project

P. O. Box 118435

Gainesville, FL 32611-8435

USA

E-mail: deumens@qtp.ufl.edu

Lena Dolghih

University of Florida

Quantum Theory Project

P. O. Box 118435

Gainesville, FL 32611-8435

USA

E-mail: dolghih@qtp.ufl.edu

Meghan E. Dunn

Hamilton College

Department of Chemistry

Clinton, NY 13323

USA

E-mail: mdunn@hamilton.edu

Michel Dupuis

Pacific Northwest National Laboratory

Mail Stop K1-90

P. O. Box 999, 906 Battelle Boulevard

Richland, WA 99352

USA

E-mail: m_dupuis@pnl.gov

Art Edison

University of Florida

Department of Biochemistry and Molecular Biology

P. O. Box 100245

Gainesville, FL 32610

USA

E-mail: art@ascaris.health.ufl.edu

Shelly L. Elizondo

Oklahoma State University

Department of Physics

145 Physical Science

Stillwater, OK 74078

USA

E-mail: shelly.elizondo@okstate.edu

Guillermina L. Estiu

Pennsylvania State University

Department of Chemistry

152 Davey Laboratory

University Park, PA 16802

USA

E-mail: gle10@psu.edu

Timothy M. Evans

Hamilton College

Department of Chemistry

198 College Hill Road

Clinton, NY 13323

USA

E-mail: tmevans@hamilton.edu

Eliza Fadda

Hospital for Sick Children

Department of Structural Biology & Biochemistry

555 University Avenue

Toronto, Ontario M5G 1X8

Canada

E-mail: efadda@sickkids.ca

De-Cai Fang

McMaster University

Department of Chemistry

1280 Main Street West

Hamilton, Ontario L8S 4M1

Canada

E-mail: fangdc@mcmaster.ca

Sebastian Fernandez-Alberti

Universidad Nacional de Quilmes

Centro de Estudios e Investigacions

Roque Saenz Peña 180

Bernal, Buenos Aires 1876

Argentina

E-mail: seba@unq.edu.ar

Norbert Flocke

University of Florida

Quantum Theory Project

P. O. Box 118435

Gainesville, FL 32611-8435

USA

E-mail: flocke@qtp.ufl.edu

Kazuma Fukumitsu

Okayama University of Science

Department of Electronic Engineering

Okayama 700-005

Japan

Kristina E. Furse

Vanderbilt University

Department of Chemistry

5-154F Biosciences/MRB III

Nashville, TN 37232-8755

USA

E-mail: kristina.e.furse@vanderbilt.edu

László Füsti Molnár

QCHEM

Design Center

Suite 690, 5001 Baum Boulevard

Pittsburgh, PA 15213

USA

E-mail: fusti@q-chem.com

Zhengting Gan

Oak Ridge National Lab

P. O. Box 2008, MS 6367

Oak Ridge, TN 37831-6367

USA

E-mail: zgl@ornl.gov

Herbert C. Georg

University of São Paulo

Department of Physics

CP 66318

São Paulo SP, 05315-970

Brazil

E-mail: hogeorg@if.usp.br

Lionel Goodman

Rutgers University

Department of Chemistry

610 Taylor Road

Piscataway, NJ 08854

USA

E-mail: goodman@rutchem.rutgers.edu

Michael T. Green

Pennsylvania State University

Department of Chemistry

104 Chemistry

University Park, PA 16802

USA

E-mail: mtg10@psu.edu

Shannon N. Greene

University of Florida

Department of Chemistry

Leigh Hall 206

Gainesville, FL 32611

USA

E-mail: greene@qtp.ufl.edu

Dominik Gront

Michigan Technological University

Department of Physics

1400 Townsend Dr.

Houghton, MI 49931

USA

E-mail: dgront@chem.uw.edu.pl

Victor Guallar

Washington University

Department of Biochemistry and Molecular Biophysics

700 S. Euclid Avenue, Room 112

St. Louis, MO 63110

USA

E-mail: guallarv@biochem.wustl.edu

Francois Gygi

Lawrence Livermore National Laboratory

Center for Applied Scientific Computing

L-561

Livermore, CA 94551

USA

E-mail: fgygi@llnl.gov

Frank B. Hagelberg

Jackson State University

Computational Center for Molecular Structure Interactions

P. O. Box 17660

Jackson, MS 39217

USA

E-mail: frank.d.hagelberg@ccaix.jsums.edu

Ulrich HE. Hansmann

Michigan Technological University

Department of Physics

1400 Townsend Drive

Houghton, MI 49931-1295

USA

E-mail: hansmann@mtu.edu

Frank E. Harris

University of Florida

Quantum Theory Project

P. O. Box 118435

Gainesville, FL 32611-8435

USA

E-mail: harris@qtp.ufl.edu

Robert J. Harrison

Oak Ridge National Laboratory

Department of Chemistry/CSMD

P. O. Box 2008, MS6367

Oak Ridge, TN 37831-6367

USA

E-mail: harrisonrj@ornl.gov

Yao He

University of Florida

Quantum Theory Project

P. O. Box 118435

Gainesville, FL 32611-8435

USA

E-mail: he@qtp.ufl.edu

Kersti G. Hermansson

Uppsala University

Department of Materials Chemistry

Box 538

Uppsala S-75121

Sweden

E-mail: kersti@kemi.uu.se

Fahmi Himo

Royal Institute of Technology

Department of Biotechnology

Albanova University Center

Stockholm S-106 91

Sweden

E-mail: himo@theochem.kth.se

Osamu Hino

University of Florida

Quantum Theory Project

P. O. Box 118435

Gainesville, FL 31611

USA

E-mail: hino@qtp.ufl.edu

Mark R. Hoffman

University of North Dakota

Department of Chemistry

Box 9024

Grand Rapids, ND 58202-9024

USA

E-mail: mhoffmann@chem.und.edu

Kathrin Hopmann

Royal Institute of Technology

Department of Biotechnology

Albanova Street

Stockholm 10691

Sweden

E-mail: kathrin@theochem.ktk.se

Thomas F. Hughes

University of Florida

Quantum Theory Project

P. O. Box 118435

Gainesville, FL 32611-8435

USA

E-mail: hughes@qtp.ufl.edu

Robert N. Humkey

University of Florida

Department of Chemistry

P. O. Box 117200

Gainesville, FL 32611

USA

E-mail: humkey@qtp.ufl.edu

Margaret M. Hurley

US Army Research Laboratory

Attn: AMSRD-ARL-WM-BD

Aberdeen Proving Ground, MD

USA

E-mail: hurley@arl.army.mil

Denis M. Jacquemin

Facultés Universitaires Notre-Dame de la Paix

Department of Chimie Théorique Appliquée

Rue de Bruxelles 61

Namur 5000

Belgium

E-mail: djacquem@scf.fundp.ac.be

Benjamin G. Janesko

Carnegie Mellon University

Department of Chemistry

Box 87, 4400 Fifth Avenue

Pittsburgh, PA 15213

USA

E-mail: bjanesko@andrew.cmu.edu

Mark Jarrell

University of Cincinnati

Department of Physics

ML-0011

Cincinnati, OH 45221-0011

USA

E-mail: jarrell@physics.uc.edu

Ping Jiang

University of Florida

Quantum Theory Project

P. O. Box 118435

Gainesville, FL 32611-8435

USA

E-mail: jiang@qtp.ufl.edu

Erin R. Johnson

Queen's University

Department of Chemistry

Chernoff Hall

Kingston, Ontario K7L 3N6

Canada

E-mail: johnson@chem.queenu.ca

Kirk Jordan

IBM Healthcare and Life Sciences Industry

USA

Rajiv Kalia

University of Southern California

CACS

3651 Watt Way, VHE 614

Los Angeles, CA 90089-0242

USA

E-mail: rkalia@usc.edu

Mihály Kállay

Budapest University of Technology and Economics

Department of Physical Chemistry

Budapest H-1521

Hungary

E-mail: kallay@mail.bme.hu

Muneaki Kamiya

University of Tokyo

Department of Applied Chemistry

7-3-1 Hongo

Bunkyo-ku, Tokyo 113-8656

Japan

E-mail: mune@qci.t.u-tokyo.ac.jp

Valentin V. Karassev

IVIC

Centro de Quimica

Apartado 21827

Caracas, Miranda 1020-A

Venezuela

E-mail: vkarasev@ivic.ve

Jerome Karle

Naval Research Laboratory

Laboratory for the Structure of Matter

4555 Overlook Avenue, S. W., Code 6030

Washington, DC 20375-5341

USA

E-mail: williams@harker.nrl.navy.mil

Michael Kasha

Florida State University

Institute of Molecular Biophysics

452 Molecular Biophysics, Mail Code 4380

Tallahassee, FL 32306

USA

E-mail: kersti@kemi.uu.se

Hiroyuki Kawabe

Kinjo University

Department of Social Work

1200, Kasama

Matto, Ishikawa 924-8511

Japan

E-mail: kawabe@kinjo.ac.jp

Takashi Kawakami

Osaka University

Graduate School of Science

Machikaneyama-cho 1-1

Toyonaka, Osaka 560-0043

Japan

E-mail: kawakami@chem.sci.osaka-u.ac.jp

Minaru Tei Kawamura

Okayama University of Science

Department of Electronic Engineering

1-1 Ridai-cho

Okayama 700-0005

Japan

E-mail: minaru@ee.ous.ac.jp

Sameer Kawatkar

University of Georgia

Department of CCRC

315 Riverbend Road

Athens, GA 30602

USA

E-mail: sameer@ccrc.uga.edu

Lex Kemper

University of Florida

Quantum Theory Project

P. O. Box 118435

Gainesville, FL 32653

USA

E-mail: kemper@qtp.ufl.edu

Benjamin J. Killian

University of Florida

Quantum Theory Project

P. O. Box 118435

Gainesville, FL 32611-8435

USA

E-mail: killian@qtp.ufl.edu

Kwang Soo Kim

Pohang University of Science and Technology

Department of Chemistry

San 31, Hyojadong, Namgu

Pohang 790-784

Korea

E-mail: kim@postech.ac.kr

Seonah Kim

University of Florida

Quantum Theory Project

P. O. Box 118435

Gainesville, FL 32611-8435

USA

E-mail: kim@qtp.ufl.edu

Armagan Kinal

Michigan State University

Department of Chemistry

Chemistry Building

East Lansing, MI 48824-1322

USA

E-mail: kinal@msu.edu

James W. King

Foundation for Chemistry

P. O. Box 116

Balsam, NC 28707-0116

USA

E-mail: jwking@sprynet.com

Karl N. Kirschner

Hamilton College

Department of Chemistry

198 College Hill Road

Clinton, NY 13323

USA

E-mail: kkirschn@hamilton.edu

Bernard Kirtman

University of California, Santa Barbara

Department of Chemistry and Biochemistry

Santa Barbara, CA 93016-9510

USA

E-mail: kirtman@chem.ucsb.edu

Yasutaka Kitagawa

Osaka University

Department of Chemistry

Graduate School of Science, Machikaneyama-cho 1-1

Toyonaka, Osaka 560-0043

Japan

E-mail: kitagawa@chem.sci.osaka-u.ac.jp

Kenn-ichi Koizumi

Osaka University

Department of Chemistry

Matikaneyamatyou 1-1

Toyonaka, Osaka 560-0043

Japan

E-mail: koizumi@chem.sci.osaka-u.ac.jp

Jing Kong

Q-Chem, Inc.

5001 Baum Blvd., Suite 690

Pittsburgh, PA 15213

USA

E-mail: office@q-chem.com

Jacek G. Korchowiec

Kyushu University

Graduate School of Engineering Sciences

6-1 Kasuga

Kasuga, Fukuoka

Japan

E-mail: jacek@cube.kyushu-U.ac.jp

Gabriel Kotliar

Rutgers University

Department of Physics and Astronomy

P. O. Box 849

Piscataway, NJ 08854-8019

USA

E-mail: kotliar@physics.rutgers.edu

Karol Kowalski

Michigan State University

Department of Chemistry

320 Chemistry Building

East Lansing, MI 48824

USA

E-mail: kowalski@cem.msu.edu

Jeffrey L. Krause

University of Florida

Quantum Theory Project

P. O. Box 118435

Gainesville, FL 32611-8435

USA

E-mail: krause@qtp.ufl.edu

Yuki Kurashige

University of Tokyo

Department of Applied Chemistry

School of Engineering

Hongo 7-3-1

Bunkyo-ku, Tokyo 113-8656

Japan

E-mail: kura@gcl.t.u-tokyo.ac.jp

Janos Ladik

Universität Erlangen-Nürnberg

Institute of Theoretical Chemistry

Egerlandstrasse 3

Erlangen, Bavaria D-91058

Germany

E-mail: janos.ladik@chemie.uni-erlangen.de

William D. Laidig

Procter and Gamble Co.

Miami Valley Laboratories

P. O. Box 538707

Cincinnati, OH 45253-8707

USA

E-mail: laidig.wd@pg.com

Harald Lanig

Universität of Erlangen/Nürnberg

Department of Computer-Chemie-Centrum

Naegelsbachstrasse 25

Erlangen D-91052

Germany

E-mail: lanig@chemie.uni-erlangen.de

Andrew S. Leathers

University of Florida

Quantum Theory Project

P. O. Box 118435

Gainesville, FL 32611-8435

USA

E-mail: leathers@qtp.ufl.edu

Georgios Leonis

University of Florida

Quantum Theory Project

P. O. Box 118435

Gainesville, FL 32611-8435

USA

E-mail: leonis@qtp.ufl.edu

William A. Lester, Jr.

University of California, Berkeley

Department of Chemistry

212 Gilman Hall

Berkeley, CA 94720-1460

USA

E-mail: walester@lbl.gov

Jerzy Leszczynski

Jackson State University

Department of Chemistry

P. O. Box 17910, 1400 J.R. Lynch Street

Jackson, MS 39217

USA

E-mail: jerzy@ccmsi.us

Katrina W. Lexa

Hamilton College

Department of Chemistry

198 College Hill Road

Clinton, NY 13323

USA

E-mail: klexa@hamilton.edu

Jun Li

Pacific Northwest National Laboratory

Environmental Molecular Sciences Laboratory

MS K8-91

P. O. Box 999, 3335 Q Avenue

Richland, WA 99352

USA

E-mail: jun.li@pnl.gov

Xiangzhu Li

University of Waterloo

Department of Applied Mathematics

Waterloo, Ontario N2L 3G1

Canada

E-mail: xli@cauga.uwaterloo.ca

Jan Linderberg

Aarhus University

Department of Chemistry

Langelandsgade 140

Aarhus DK-8000

Denmark

E-mail: jan@kemi.aau.dk

Maricris D. Lodriguito

Michigan State University

Department of Chemistry

Chemistry Building

East Lansing, MI 48824

USA

E-mail: lodrigui@msn.com

Hector Luna-García

Universidad Autónoma Metropolitana-Azcapotzalco

Ciencias Básicas

Av San Pablo 180, Col. Reynosa

México City DF 02200

México

E-mail: lghm@correo.azc.uam.mx

Weili Luo

University of Central Florida

Department of Physics

P. O. Box 162385, 4000 Central Florida Blvd.

Orlando, FL 32816-2385

USA

E-mail: luo@ucf.edu

Aditi Mallik

University of Florida

Department of Physics

P. O. Box 118440

Gainesville, FL 32611-8440

USA

E-mail: aditi@phys.ufl.edu

Frederick R. Manby

University of Bristol

School of Chemistry

Cantocke Close

Bristol BS8 1TS

UK

E-mail: fred.manby@bris.ac.uk

Yoshinori Manmoto

Okayama University of Science

Department of Electronic Engineering

1-1 Ridai-cho

Okayama, Okayama 700-0005

Japan

E-mail: manmoto@ee.ous.ac.jp

Norman March

University of Antwerp

Department of Physics

Groenenborgenlaan 171

Antwerp B-2020

Belgium

Lou Massa

Hunter College, CUNY

Department of Chemistry and Physics

New York, NY 10021

USA

E-mail: lmassa@hunter.CUNY.edu

Artem E. Masunov

Los Alamos National Laboratory

Theoretical Division

MS B268

Los Alamos, NM 87545

USA

E-mail: amasunov@t12.lanl.gov

Sergey N. Maximoff

Rice University

Department of Chemistry

6100 S. Main Street, MS-60

Houston, TX 77098

USA

E-mail: msn@rice.edu

Josh McClellan

University of Florida

Quantum Theory Project

P. O. Box 118435

Gainesville, FL 32611-8435

USA

E-mail: mcclellan@qtp.ufl.edu

Michael J. Mcguire

Michigan State University

Department of Chemistry

Chemistry Building

East Lansing, MI 48824

USA

E-mail: mcguir57@msu.edu

Kenneth M. Merz, Jr.

Pennsylvania State University

Department of Chemistry

152 Davey Laboratory

University Park, PA 16802

USA

E-mail: merz@psu.edu

David A. Micha

University of Florida

Quantum Theory Project

P. O. Box 118435

Gainesville, FL 32611-8435

USA

E-mail: micha@qtp.ufl.edu

John W. Mintmire

Oklahoma State University

Department of Physics

PS 145

Stillwater, OK 74074

USA

E-mail: john.mintmire@okstate.edu

Hendrik J. Monkhorst

University of Florida

Quantum Theory Project

P. O. Box 118435

Gainesville, FL 32611-8435

USA

E-mail: monkhors@qtp.ufl.edu

Sheila Moran

IBM

Life Sciences

1940 Hitchcock Avenue

Downers Grove, IL 60515

USA

Yoshiyuki Mori

Okayama University of Science

Department of Applied Mathematics

1-1 Ridaicho

Okayama City 700-0005

Japan

E-mail: mori@xmath.ous.ac.jp

Krishna Muralidharan

University of Florida

Quantum Theory Project

P. O. Box 118435

Gainesville, FL 32611-8435

USA

E-mail: krishna@qtp.ufl.edu

Jane S. Murray

University of New Orleans

Department of Chemistry

Chemical Sciences Building

New Orleans, LA 70148

USA

E-mail: jsmurray@uno.edu

Bengt Nagel

Royal Institute of Technology

Department of Physics

SCFAB, Osquldas v. 6

Stockholm S-10691

Sweden

E-mail: nagel@theophys.kth.se

Takahito Nakajima

University of Tokyo

Department of Applied Chemistry

Hongo 7-3-1

Bunkyo-ku, Tokyo 113-8656

Japan

E-mail: nakajima@qcl.t.u-yokyo.ac.jp

Maho Nakata

University of Tokyo

Department of Applied Chemistry at Hirao Laboratory

Hongo 7-3-1

Bunkyo-ku, Tokyo 113-8656

Japan

E-mail: mnakata@qcl.t.u-tokyo.ac.jp

E. Irene Newhouse

University of New Mexico

Department of Chemistry

129 Walua Pl.

Kihei, HI 96753

USA

E-mail: einew@hotmail.com

James S. Newhouse

Maui High Performance Computing Center

Department of Applications

550 Lipoa Parkway

Kihei, HI 96753

USA

E-mail: james.newhouse@mhpcc.hpc.edu

Joey Nicely

University of Florida

Quantum Theory Project

P. O. Box 118435

Gainesville, FL 32611-8435

USA

E-mail: nicely@qtp.ufl.edu

Willem C. Nieuwpoort

University of Gröningen

Department of Chemical Physics

Nijenborgh 4

Gröningen AG 9747 AG

The Netherlands

E-mail: nieuwpoort@chem.rug.nl

Jozef Noga

Comenius University, Faculty of Natural Sciences

Department of Physical and Theoretical Chemistry

Mlynska Dolina CH1

Bratislava SK-84215

Slovakia

E-mail: noga@savba.sk

Hirofumi Nonaka

Toyohashi University of Technology

Department of Knowledge Based Information Engineering

Hibarigaoka1-1 Tenpakucho

Toyohashi, Aichi 441-8580

Japan

E-mail: nonaka@theo.tutkie.tut.ac.jp

Yngve Öhrn

University of Florida

Quantum Theory Project

P. O. Box 118435

Gainesville, FL 32611-8435

USA

E-mail: ohrn@qtp.ufl.edu

Jeppe Olsen

University of Lund

Department of Theoretical Chemistry

P. O. Box 124

Lund 22100

Sweden

E-mail: jeppe@kemi.aau.dk

Vincent Ortiz

Kansas State University

Department of Chemistry

111 Willard Hall

Manhattan, KS 66506-3701

USA

E-mail: ortiz@ksu.edu

Alexander B. Pacheco

University of Florida

Quantum Theory Project

P. O. Box 118435

Gainesville, FL 32611-8435

USA

E-mail: pacheco@qtp.ufl.edu

Josef Paldus

University of Waterloo

Department of Applied Mathematics

200 University Avenue West

Waterloo, Ontario N2L 3G1

Canada

E-mail: paldus@theochem.uwaterloo.ca

Juliana Palma

Universidad de Quilmes

Centro de Estudios e Investigaciones

Sáenz Peña 180

Bernal Buenos Aires 1876

Argentina

Julio L. Palma

University of Florida

Quantum Theory Project

P. O. Box 118435

Gainesville, FL 32611-8435

USA

E-mail: palma@qtp.ufl.edu

Konrad Patkowski

University of Delaware

Department of Physics and Astronomy

304 Sharp Laboratory

Newark, NJ 19711

USA

E-mail: patkowsk@udel.edu

Jozef Paulovic

University of Tokyo

Department of Applied Chemistry

Hongo 7-3-1

Tokyo 113-8656

Japan

E-mail: paulovic@qcl.t.u-tokyo.ac.jp

Jose Juan Peña

Universidad Autónoma Metropolitana

Departamento de Fisica

Av San Pablo 180G-010

México City DF 02200

México

E-mail: jjpg@correo.azc.uam.mx

Juan E. Peralta

Rice University

Department of Chemistry

6100 Main Street

Houston, TX 77005

USA

E-mail: juanp@rice.edu

Ajith D. Perera

University of Florida

Quantum Theory Project

P. O. Box 118435

Gainesville, FL 32611

USA

E-mail: perera@qtp.ufl.edu

Simon Phillpot

University of Florida

Department of Materials Sciences and Engineering

Rhines Hall

Gainesville, FL 32611

USA

E-mail: sphil@mse.ufl.edu

Frank C. Pickard

Hamilton College

Department of Chemistry

198 College Hill Road

Clinton, NY 13323

USA

E-mail: fpickard@hamilton.edu

Jean-Philip Piquemal

NIEHS

Laboratory of Structural Biology

111 Alexander Dr., P. O. Box 12233 MD F0-08

Research Triangle Park, NC 27709

USA

E-mail: piquemalj@niehs.nim.gov

Jiri Pittner

J. Heyrovsky Institute

Department of Chemical Physics

Dolejskova 3

Prague CZ 18223

Czech Republic

E-mail: jiri.pittner@jh-inst.cas.cz

Rafal Podeszwa

University of Delaware

Department of Physics and Astronomy

309 Sharp Laboratory

Newark, NJ 19716

USA

E-mail: poszwa@physics.udel.edu

Peter Politzer

University of New Orleans

Department of Chemistry

CSB 119

New Orleans, LA 70148

USA

E-mail: ppolitze@uno.edu

Enrique Poulain

Universidad Autónoma Metropolitana-Azcapotzalco

CBI-Area de Fisica Atomica y Molecular aplicada

Av. San Pablo No. 180, Colonia Reynosa Tamaulipas

Azcapotzalco DF 02200

México

E-mail: enro@correo.azc.uam.mx

Michael Probst

University of Innsbruck

Department of Ion Physics

Technikerstrasse 25

Innsbruck A-6020

Austria

E-mail: michael.probst@uibk.ac.at

Ionut D. Prodan

Rice University

Department of Physics and Astronomy

6100 Main Street

Houston, TX 77005

USA

E-mail: prodan@rice.edu

Carlos Quintanar

Universidad Nacional Autónoma de México

Department of Physics

P. O. Box 1-1010

Queretaro D.F. 76000

México

E-mail: cqs@matrix.super.unam.mx

Gerhard P. Raabe

Rheinische-Westfaelische Technische Hochschule

Department of Organic Chemistry

Prof.-Pirlet-Strasse 1

Aachen D-52056

Germany

E-mail: gerd.raabe@thc.rwth-aachen.de

Jose A. Récamier

Universidad Nacional Autónoma de México

Centro de Ciencias Fisicas

Apdo Postal 48-3

Cuernavaca Morelos 62251

México

E-mail: pepe@fis.unam.mx

Eddie Red

Florida A & M University

Department of Physics

205 Jones Hall

Tallahassee, FL 32307

USA

E-mail: eddie1.red@famu.edu

Stephanie Reimann-Wacker

Lund Institute of Technology, Lund University

Department of Mathematical Physics

Sölvegatan 14A

Lund 22100

Sweden

E-mail: reimann@matfys.lth.se

Nigel Richards

University of Florida

Department of Chemistry

P. O. Box 117200

Gainesville, FL 32611-7200

USA

E-mail: richards@chem.ufl.edu

Kevin E. Riley

Pennsylvania State University

Department of Chemistry

104 Chemistry Building

University Park, PA 16802

USA

E-mail: kerl60@psu.edu

Ashley L. Ringer

Georgia Tech

Department of Chemistry & Biochemistry

Boggs Chemistry Building, 770 State Street

Atlanta, GA 30332

USA

E-mail: ashley.ringer@chemistry.gatech.edu

Antonio Rizzo

Consiglio Nazionale delle Ricerche

Instituto di Chimica Quantistica ed Energetica Molecolare

Area delle Ricera de Pisa, Via Alfieri1, loc. San Cataldo

Ghezzano Pisa I-56010

Italy

E-mail: rizzo@indigo.icqem.pi.cnr.it

Amir Rodriguez

University of Puerto Rico

Department of Science and Technology

P. O. Box 21150

San Juan, PR 00927-1150

USA

E-mail: dawg_pound03@hotmail.com

Adrian E. Roitberg

University of Florida

Quantum Theory Project

P. O. Box 118435

Gainesville, FL 32611-8435

USA

E-mail: roitberg@qtp.ufl.edu

Victor M. Rosas-García

Universidad Autonoma de Nuevo Leon

Facultad de Ciencias Quimicas

Av. Pedro de Alba S/N

San Nicolas de los Garza NL 66400

Mexico

E-mail: quimico69@yahoo.com

Keith Runge

University of Florida

Quantum Theory Project

P. O. Box 118435

Gainesville, FL 32611-8435

USA

E-mail: runge@qtp.ufl.edu

Henry Rzepa

Imperial College London

Department of Chemistry

London SW7 2AZ

UK

E-mail: h.rzepa@ic.ac.uk

John R. Sabin

University of Florida

Quantum Theory Project

P. O. Box 118435

Gainesville, FL 32611-8435

USA

E-mail: sabin@qtp.ufl.edu

Akbar Salam

Wake Forest University

Department of Chemistry

Salem Hall

Winston-Salem, NC 27109

USA

E-mail: salama@wfu.edu

Jeffery Saven

University of Pennsylvania

Department of Chemistry

231 South 34th Street

Philadelphia, PA 19104

USA

E-mail: saven@sas.upenn.edu

Anthony Scemama

Universiteit Leiden

Insitut Lorentz

Postbus 9506

Leiden 2300 RA

The Netherlands

E-mail: scemana@lorentz.leidenuniv.nl

Henry F. Schaefer III

University of Georgia

Center for Computational Quantum Chemistry

Computational Chemistry Building

Athens, GA 30602

USA

E-mail: hfs@uga.edu

Harold Scheraga

Cornell University

Department of Chemistry and Chemical Biology

660 Baker Laboratory

Ithaca, NY 14853-1301

USA

E-mail: has5@cornell.edu

Igor Schweigert

University of Florida

Quantum Theory Project

P. O. Box 118435

Gainesville, FL 32611-8435

USA

E-mail: schweigert@qtp.ufl.edu

Ryan C. Scott

Oklahoma State

Department of Physics

PSII

Stillwater, OK 74078

USA

E-mail: ryancs@okstate.edu

Harrell L. Sellers

IBM

Health Care and Life Sciences

1514 28th Avenue, West

Brooklings, SD 57006

USA

E-mail: sellers@us.ibm.com

Yihan Shao

Q-Chem, Inc.

5001 Baum Blvd, Suite 690

Pittsburgh, PA 15213

USA

E-mail: yihan@q-chem.com

George C. Shields

Hamilton College

Department of Chemistry

198 College Hill Road

Clinton, NY 13323

USA

E-mail: gshields@hamilton.edu

Yasuteru Shigeta

University of Tokyo

Department of Chemistry

Hongo 7-3-1

Tokyo 113-5666

Japan

E-mail: shigeta@qcl.t.u-tokyo.ac.jp

Mitsuo Shoji

Osaka University

Department of Chemistry, Graduate School of Science

Machikaneyama 1-1

Toyonaka, Osaka 560-0043

Japan

E-mail: mshoji@chem.sci.osaka-u.ac.jp

Carlos L. Simmerling

State University of New York

Department of Chemistry

Stony Brook, NY 11794-3400

USA

E-mail: carlos.simmerling@stonybrook.edu

Brian E. Smith

IBM

Richard H. Squire

Marshall University

Department of Natural Sciences

918 Woodland Avenue

South Charleston, WV 25303

USA

E-mail: rhsquire@charter.net

James J. Stewart

Stewart Computational Chemistry

15210 Paddington Circle

Colorado Springs, CO 80921-2512

USA

E-mail: jstewart@us.fjuitsu.com

Alain Strich

University Louis Pasteur

Department of Chimie Quantique

4 Rue Blaise Pascal

Strasbourg 67000

France

E-mail: strich@quantix.u_strasb.fr

Shinichiro Sugiki

Oak Ridge National Laboratory

Department of Computational Science

Oak Ridge, TN

USA

Kimikazu Sugimori

Kanazawa University

Department of Mathematical and Physical Science

Graduate School of Natural Science

Kanazawa, Ishikawa 920-1192

Japan

E-mail: kimikazu@wriron1.s.kanazawa-u.ac.jp

Ayumu Sugiyama

Kanazawa University

Graduate School of Natural Science and Technology

Kakuma

Kanazawa, Ishikawa 920-1192

Japan

E-mail: ayumu@wriron1.s.kanazawa-u.ac.jp

Krzysztof Szalewicz

University of Delaware

Department of Physics and Astronomy

121B Sharp Laboratory

Newark, DE 19716

USA

E-mail: szalewic@udel.edu

Akitomo Tachibana

Kyoto University

Department of Engineering Physics and Mechanics

Sakyo-ku

Kyoto, Kyoto 606-8501

Japan

E-mail: akitomo@kues.kyoto-u.ac.jp

Masahiro Takahata

Osaka University

Department of Chemistry

Machikaneyama 1-1

Toyonaka, Osaka 560-0043

Japan

E-mail: mtaka@checm.sci.osaka-u.ac.jp

James Talman

University of Western Ontario

Department of Applied Mathematics

WSC 136

London, Ontario N6A 5B7

Canada

E-mail: jtalman@uwo.ca

Andrew G. Taube

University of Florida

Quantum Theory Project

P. O. Box 118435

Gainesville, FL 32611-8435

USA

E-mail: taube@qtp.ufl.edu

Anthony P. Tauer

Georgia Tech

Department of Chemistry and Biochemistry

Boggs Chemistry Building, 770 State Street

Atlanta, GA 30332

USA

E-mail: anthony.tauer@chemistry.gatech.edy

Berhane Temelso

Georgia Tech

Department of Chemistry and Biochemistry

Boggs Chemistry Building, 770 State Street

Atlanta, GA 33032

USA

E-mail: berhane.temelso@chemistry.gatech.edu

Walter Thiel

Max-Planck-Institut fuer Kohlenforschung

Kaiser-Wilheim-Platz 1

Muelheim D-45470

Germany

E-mail: thiel@mpi-muelheim.mpg.de

Todd R. Thompson

IBM

Department of Life Sciences

3605 Winding Oaks Drive

Flower Mound, TX 75022

USA

E-mail: trt@us.ibm.com

Javier Tomassini

Universidad Metropolitana

Department of Science and Technology

P. O. Box 21150

San Juan, PR 00931-1150

USA

E-mail: javiertomassini@yahoo.co

Samuel B. Trickey

University of Florida

Quantum Theory Project

P. O. Box 118435

Gainesville, FL 32611-8435

USA

E-mail: trickey@qtp.ufl.edu

Johan Ulander

AstraZeneca

Department of DMPK and Bioanalytical Chemistry

Pepparledsv. 3

Molndal SE-431-83

Sweden

E-mail: johsn.ulander@astrazeneca.com

Piet Van Duijnen

University of Gröningen

Department of Theoretical Chemistry

Nijenborgh 4, Materials Science Center

Gröningen AG 9747-AG

Netherlands

E-mail: duijnen@chem.rug.nl

Troy Van Voorhis

Massachusetts Institute of Technology

Department of Chemistry

77 Massachusetts Avenue

Cambridge, MA 02155

USA

E-mail: tvan@mit.edu

Polina Velichkova

Royal Institute of Technology

Department of Biotechnology

Albanova Street

Stockholm 10691

Sweden

E-mail: polvel@theochem.kth.se

Daniel P. Vercauteren

University of Namur

Department of Chemistry

Rue de Bruxelles 61

Namur 5000

Belgium

E-mail: daniel.vercauteren@fundp.ac.be

Giovanni Vignale

University of Missouri

Department of Physics and Astronomy

Columbia, MO 65203

USA

E-mail: vignaleg@missouri.edu

Lucas Visscher

Vrije Universiteit Amsterdam

Department of Chemistry

De Boelelaan 1083

Amsterdam 1081 HV

The Netherlands

E-mail: visscher@chem.vu.nl

Yingxia Wan

University of Florida

Department of Physics

P. O. Box 118440

Gainesville, FL 32611-8440

USA

E-mail: wan@qtp.ufl.edu

Bing Wang

Pennsylvania State University

Department of Chemistry

104 Chemistry Building

University Park, PA 16802

USA

E-mail: buw@psu.edu

John D. Watts

Jackson State University

Department of Chemistry

P. O. Box 17910

Jackson, MS 39217

USA

E-mail: watts@chem.jsums.edu

Charles A. Weatherford

Florida A & M University

Department of Physics

205 Jones Hall

Tallahassee, FL 32307

USA

E-mail: charles.weatherford@famu.edu

Brian L. Weiner

Pennsylvania State University

Department of Physics

117 Swift, College Place

DuBois, PA 15801

USA

E-mail: bqw@psu.edu

Steven R. White

University of California at Irvine

Department of Physiology and Astronomy

Irvine, CA 92717

USA

E-mail: srwhite@uci.edu

Timothy Wilson

Oklahoma State University

Department of Physics

145 PS II

Stillwater, OK 74078

USA

E-mail: tpraf@okstate.edu

Peter Winkler

University of Nevada

Department of Physics

M.S. 220

Reno, NV 89557-0058

USA

E-mail: winkler@physics.unr.edu

Marta Wloch

Michigan State University

Department of Chemistry

Chemistry Building

East Lansing, MI 48824

USA

E-mail: wloch@msu.edu

Robert J. Woods

University of Georgia

Complex Carbohydrate Research Center

315 Riverbend Road

Athens, GA 30602

USA

E-mail: makins@ccrc.uga.edu

Albert R. Wynn III

Florida A&M University

Department of Physics

205 Jones Hall

Tallahassee, FL 32307

USA

E-mail: albertiii1.wynn@famu.edu

Hui Xiong

University of Florida

Quantum Theory Project

P. O. Box 118435

Gainesville, FL 32611-8435

USA

E-mail: xiong@qtp.ufl.edu

Daisuke Yamaki

Nagoya University

Yasuda Laboratory, Graduate School of Information Science

Chikusa-ku, Nagoya 464-8601

Japan

E-mail: yamaki@info.human.nagoya-u.ac.jp

Shuske Yamanaka

Osaka University

Department of Chemistry

Machikaneyama 1-1

Toyonaka, Osaka 560-0043

Japan

E-mail: syama@chem.sci.osaka-u.ac.jp

Takeshi Yanai

University of Tokyo

Department of Applied Chemistry

7-3-1 Hongo Bunkyo-ku

Tokyo 113-8656

Japan

David Yaron

Carnegie-Mellon University

Department of Chemistry

4400 5th Avenue

Pittsburgh, PA 15213

USA

E-mail: yaron@andrew.cmu.edu

Fuchang Yin

Georgia Tech

Department of Chemistry and Biochemistry

Boggs Chemistry Building, 770 State Street

Atlanta, GA 30332

USA

E-mail: fuchang.yin@chemistry.gatech.edu

Anna Zerner

University of Florida

Quantum Theory Project

P. O. Box 118435

Gainesville, FL 32611-8435

USA

E-mail: zerner@qtp.ufl.edu

Wuming Zhu

University of Florida

Quantum Theory Project

P. O. Box 118435

Gainesville, FL 32611-8435

USA

E-mail: zhu@qtp.ufl.edu

Ancillary