Off-site NWChem Installations and Points of Contact

Site Site Representative
and/or
Point of Contact
Electronic Mail Phone Number
National Energy Research Scientific Computing (NERSC) facility Dr. Adrian T. Wong
(Dr. Jonathan Carter)
atwong@nersc.gov
(jcarter@nersc.gov)
510-486-4032
(510-486-7514)
National Center for Supercomputing Applications Dr. Balaji Veeraraghavan balajiv@ncsa.uiuc.edu 217-333-2754
Maui High Performance Computing Center Dr. James Newhouse newhojs@mhpcc.edu 808-879-5077
Argonne National Laboratory
Mathematics and Computer Science Division
Dr. Mike Minkoff minkoff@mcs.anl.gov 630-252-7234
Phillips Laboratory, Edwards Air Force Base, CA Dr. Jerry Boatz boatzj@pl-edwards.af.mil 805-275-5364
Instituto de Tecnologia Química e Biológica/Universidade Nova de Lisboa
(Institute of Technology for Chemistry and Biology/New University of Lisbon)
Dr. Pedro Eduardo M. Lopes lopes@itqb.unl.pt +351-1-4469453
Department of Chemistry, Harvard University (Karplus Group)
Dr. Fabrice Leclerc
leclerc@tammy.harvard.edu 617-495-1768
Konrad-Zuse-Zentrum Fur Informationstechnik, Berlin (ZIB) Dr. Thomas Steinke steinke@zib.de +49-30-84185-144
DERA, Fort Halstead, England Dr. Peter J. Haskins
(Mr. Andrew Wood)
pjhaskins@compuserve.com
(mdcook@dera.gov.uk)
+44-1959-515199
(+44-1959-515195)
University of Mexico, UNAM Dr. Ruben Santamaria rso@fenix.ifisicacu.unam.mx +52-5-622-5014
Forschungszentrum Julich Gmblt Dr. Johannes Grotendorst j.grotendorst@fz-juelich.de +49-2461-61-6585
Dept. Chemistry, College of the Holy Cross Professor Ramona S. Taylor rtaylor@holycross.edu 508-793-3425
EMBL Heidelberg Dr. Rebecca Wade wade@embl-heidelberg.de +49-6621-387553
Department of Physics, University of Delaware Professor Krysztof Szalewicz
(Maciej Kolaski)
szalewic@udel.edu
(kolaski@mp5.physics.udel.edu)
302-831-6579
(302-831-6519)
Pittsburgh Supercomputing Center Dr. S. Sanielevici
(Dr. Nick Nystrom)
sergiu@psc.edu
(nystrom@psc.edu)
412-268-5240
(412-268-1592)
Department of Chemistry, Indiana State University Professor Eric Glendening erigc@chem.indstate.edu 812-237-2235
Department of Chemistry, Emory University Professor Keiji Morokuma
(Dr. Stephan Irle)
morokuma@emory.edu
(sirle@emory.edu)
404-727-2180
(404-727-4658)
Dupont Experimental Station Dr. Kerwin Dobbs
(Dr. Dan Ruduski)
dobbskd@esvax.dnet.dupont.com
(dan.g.ruduski@usa.dupont.com)
302-695-8084
(302-695-4197)
Department of Chemistry, University of Minnesota (Truhlar Group)
Mr. Yao-Yuan (John) Chuang
chuang@comp.chem.umn.edu 612-624-9843




Prepared by Ricky A. Kendall:
Email: nwchem-support@emsl.pnl.gov