From owner-nwchem-users@emsl.pnl.gov Fri Dec 8 16:35:11 2006 Received: from odyssey.emsl.pnl.gov (localhost [127.0.0.1]) by odyssey.emsl.pnl.gov (8.13.8/8.13.8) with ESMTP id kB90ZA27027132 for ; Fri, 8 Dec 2006 16:35:11 -0800 (PST) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.13.8/8.13.8/Submit) id kB90ZAZu027131 for nwchem-users-outgoing-0915; Fri, 8 Dec 2006 16:35:10 -0800 (PST) X-Authentication-Warning: odyssey.emsl.pnl.gov: majordom set sender to owner-nwchem-users@emsl.pnl.gov using -f X-IronPort-AV: i="4.09,515,1157353200"; d="scan'208,217"; a="9707005:sNHT46129195" X-MimeOLE: Produced By Microsoft Exchange V6.5 Content-class: urn:content-classes:message MIME-Version: 1.0 Content-Type: multipart/alternative; boundary="----_=_NextPart_001_01C71B29.E0C8A3AF" Subject: [NWCHEM] NWChem Meeting at EMSL January 25-26, 2007: Science driven petascale computing and capability development Date: Fri, 8 Dec 2006 16:35:07 -0800 Message-ID: <1692FA5FE0EBFD40B2B4097DAFEA887CF2E82C@EMAIL02.pnl.gov> X-MS-Has-Attach: X-MS-TNEF-Correlator: Thread-Topic: NWChem Meeting at EMSL January 25-26, 2007: Science driven petascale computing and capability development Thread-Index: AccbKeAVFdMBtJhaRMGZQW7cPFgELQ== From: "DeJong, Wibe A" To: , X-OriginalArrivalTime: 09 Dec 2006 00:35:08.0154 (UTC) FILETIME=[E0BE85A0:01C71B29] Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk This is a multi-part message in MIME format. ------_=_NextPart_001_01C71B29.E0C8A3AF Content-Type: text/plain; charset="us-ascii" Content-Transfer-Encoding: quoted-printable Dear NWChem users and developers, With the emergence of petascale computing platforms computational quantum chemistry is on the verge of entering a new era of modeling. These new resources will enable researchers to tackle scientific problems that larger and more realistic than ever before, and to include more of the complex dynamical behavior of nature.=20 In this regard, EMSL is organizing a two-day meeting January 25-26 to develop a long-term strategy for Environmental Molecular Sciences Laboratory's NWChem quantum chemistry software suite. The strategic plan will include ideas on what the future computational chemistry scientific challenges will be, which role petascale computing will play, and it will define the most significant needs in terms of capability development in NWChem. The meeting will include panel discussions, and presentations by scientific leaders in key programs and science areas along with key computational chemistry methodology developers, computer scientists, and mathematicians. Some of the invited speakers that will be presenting are Bill Lester, Robert Harrison, Giulia Galli, Rod Bartlett, Dave Dixon, and Saday Sadayappan. A poster session is planned during the evening on January 25, which will provide you with an opportunity for you to showcase your research program, and to provide EMSL and the NWChem developer team with ideas to guide investments for software capability development. Please provide a title and abstract when you sign-up for the meeting. Meeting information and registration information is available on the NWChem Meeting website http://www.emsl.pnl.gov/nwchemmeeting/ . Registration is free and open to the scientific community. Foreign nationals that wish to participate are urged to sign up as soon as possible due to processing times.=20 With kind regards, Bert de Jong Tjerk Straatsma Eric Bylaska Jarek Nieplocha Bert de Jong, Ph.D. Senior Research Scientist Technical Group Lead MSCF High Performance Software Development Environmental Molecular Science Laboratory Pacific Northwest National Laboratory P.O. Box 999, Mail Stop K8-91 Richland, WA 99352 Phone: (509) 376-5290 Email: bert.dejong@pnl.gov Fax: (509) 376-0420 Room: EMSL 1371 ------_=_NextPart_001_01C71B29.E0C8A3AF Content-Type: text/html; charset="us-ascii" Content-Transfer-Encoding: quoted-printable NWChem Meeting at EMSL January 25-26, 2007: Science driven = petascale computing and capability development

Dear NWChem users and = developers,

With the emergence of petascale = computing platforms computational quantum chemistry is on the verge of = entering a new era of modeling. These new resources will enable = researchers to tackle scientific problems that larger and more realistic = than ever before, and to include more of the complex dynamical behavior = of nature.

In this regard, EMSL is organizing a = two-day meeting January 25-26 to develop a long-term strategy for = Environmental Molecular Sciences Laboratory’s NWChem quantum = chemistry software suite.  The strategic plan will include ideas on = what the future computational chemistry scientific challenges will be, = which role petascale computing will play, and it will define the most = significant needs in terms of capability development in = NWChem.

The meeting will include panel = discussions, and presentations by scientific leaders in key programs and = science areas along with key computational chemistry methodology = developers, computer scientists, and mathematicians. Some of the invited = speakers that will be presenting are Bill Lester, Robert Harrison, = Giulia Galli, Rod Bartlett, Dave Dixon, and Saday Sadayappan.

A poster session is planned during the = evening on January 25, which will provide you with an opportunity for = you to showcase your research program, and to provide EMSL and the = NWChem developer team with ideas to guide investments for software = capability development. Please provide a title and abstract when you = sign-up for the meeting.

Meeting information and registration = information is available on the NWChem Meeting website http://www.emsl.pnl.gov/nwchemmeeting/ . Registration is free and open to the = scientific community. Foreign nationals that wish to participate are = urged to sign up as soon as possible due to processing times. =

With kind regards,

Bert de = Jong           Tjerk = Straatsma           = Eric Bylaska           = Jarek Nieplocha

Bert de = Jong, Ph.D.  Senior Research = Scientist
Technical Group = Lead
MSCF High = Performance Software Development
Environmental = Molecular Science Laboratory
Pacific Northwest = National Laboratory
P.O. Box 999, = Mail Stop K8-91
Richland, WA = 99352

Phone: (509) = 376-5290 Email: bert.dejong@pnl.gov
Fax: (509) = 376-0420     Room: EMSL 1371

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