From owner-chemistry@ccl.net Mon Feb 19 16:48:11 1996 Received: from bedrock.ccl.net for owner-chemistry@ccl.net by www.ccl.net (8.7.1/950822.1) id QAA19150; Mon, 19 Feb 1996 16:47:34 -0500 (EST) Received: from theory.tc.cornell.edu for short@tc.cornell.edu by bedrock.ccl.net (8.7.1/950822.1) id QAA24948; Mon, 19 Feb 1996 16:47:33 -0500 (EST) Received: from [128.84.181.50] (HELEN.TC.CORNELL.EDU [128.84.181.50]) by theory.tc.cornell.edu (8.6.9/8.6.6) with SMTP id QAA52496; Mon, 19 Feb 1996 16:46:23 -0500 Date: Mon, 19 Feb 1996 16:46:23 -0500 Message-Id: Mime-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable To: CHMINF-L@iubvm.ucs.indiana.edu, chem-com@mailbase.ac.uk, chem-mod@mailbase.ac.uk, CHEME-L@PSUVM.PSU.EDU, chemistry@ccl.net From: short@TC.Cornell.EDU (Faith Short) Subject: news release please distribute this release to your chemistry list. chminf-l chem-comp chem-mod cheme-l chemistry thank you. New CTC Corporate Partner to Parallelize Quantum Chemistry Software Suite =46or Immediate Release =46ebruary 7, 1996 Ithaca, NY-Schr=F6dinger, Inc., of Pasadena, California, has joined the Cornell Theory Center's (CTC) Corporate Partnership Program to develop a parallelized version of its quantum chemistry software suite for scalable computing architectures. "Access to the Theory Center's corporate program will help Schr=F6dinger deliver a parallelized version of PS-GVB quantum chemistry software to the U.S. research community faster and more efficiently," explained Schr=F6dinge= r president, Murco Ringnalda. "Researchers in both industry and education are excited about the prospect of seeing the duration of their quantum chemistry calculations reduced from one week to less than one day." Timely and accurate calculations of realistic molecular systems require fast computer execution speeds and highly efficient software. Scalably parallel computing architectures, such as the IBM RS/6000 SP, use standardized components that are designed to maintain performance as they scale from a few to dozens or even hundreds of processors. Schr=F6dinger is committed to the development of highly refined and efficien= t software to solve electronic structure problems. In recent years, Schr=F6dinger has developed new approaches to solving ab initio electronic structure equations that involve pseudospectral methods. These new algorithms are now available in Schr=F6dinger's PS-GVB software suite. "The Cornell Theory Center is eager to accelerate the development of robust parallel applications for the high performance computing market," emphasized Peter M. Siegel, director of the Corporate Partnership Program. "Our partnership with Schr=F6dinger is an important example of our work with software developers; other software partners and users include ADAPCO, BIOSYM, Candle Corporation, GrammaTech, MathWorks, and Ronin Systems." Companies interested in accessing CTC's IBM and Silicon Graphics computing environment should contact Paul Redfern at red@tc.cornell.edu for more information. CTC, one of four high performance computing and communications centers supported by the National Science Foundation, operates the world's largest IBM SP system. Activities of CTC are also funded by New York State, the Advanced Research Projects Agency, the National Center for Research Resources at the National Institutes of Health, IBM, and other members of CTC's Corporate Partnership Program. =46or more information, contact Linda Callahan, Director of External Relations, Cornell Theory Center: e-mail: cal@tc.cornell.edu phone: 607-254-8610 fax: 607-254-8888 http://www.tc.cornell.edu/ =46or information about Schr=F6dinger, Inc., contact Murco Ringnalda: e-mail: info@psgvb.com phone: 818-568-9392 or 800-20-PS-GVB fax: 818-568-9778 http://www.psgvb.com -30-