From chemistry-request@server.ccl.net Sun Dec 27 05:46:47 1998 Received: from www.ccl.net (www.ccl.net [192.148.249.5]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id FAA12031 for ; Sun, 27 Dec 1998 05:46:47 -0500 Received: from sun1000.pwr.wroc.pl (root@sun1000.pwr.wroc.pl [156.17.5.3]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id FAA16565 Sun, 27 Dec 1998 05:41:37 -0500 (EST) Received: from kchf.ch.pwr.wroc.pl (kchf4.ch.pwr.wroc.pl [156.17.2.124]) by sun1000.pwr.wroc.pl (8.8.7/8.8.5/ts-sun1000.971031+rchk1.20a+bspm1.13) with ESMTP id LAA04762 for ; Sun, 27 Dec 1998 11:41:33 +0100 (MET) Received: from KCHF_1/SpoolDir by kchf.ch.pwr.wroc.pl (Mercury 1.31); 27 Dec 98 11:42:38 +100 Received: from SpoolDir by KCHF_1 (Mercury 1.31); 27 Dec 98 11:42:19 +100 From: "ANDRZEJ SOKALSKI" Organization: Inst. of Phys and Theoret. Chem. To: chemistry@www.ccl.net Date: Sun, 27 Dec 1998 11:42:15 MET1MEST Subject: Comp. in Chem.'99 Conf & Wrkshp "trends comp. meth. large mol. Priority: normal X-mailer: Pegasus Mail v3.40 Message-ID: <56571D0B0B@kchf.ch.pwr.wroc.pl> FIRST ANNOUNCEMENT *************************** 5-th International Conference COMPUTERS IN CHEMISTRY '99 including Polish-American workshop on NEW TRENDS IN COMPUTATIONAL METHODS FOR LARGE MOLECULAR SYSTEMS organized by: Wroclaw University of Technology, Poland University of Wroclaw, Poland National Institute of Standards and Technology, Gaithersburg, MD, USA Center for Advanced Research in Biotechnology, Rockville, MD, USA July 1-6, 1999 Szklarska Porrba, Poland. GENERAL The 5-th International Conference COMPUTERS IN CHEMISTRY '99 is a continuation of the cyclic meetings which started in 1986 at Wroclaw University of Technology through an initiative of Professor Adam Bartecki. The purpose of the Conference is to bring together scientists using computers in experimental and theoretical research in a variety of disciplines related to chemistry and to provide a forum for for presentation of recent advances in computational methods, hardware and software developments and teaching methodology. Advisory Board A. Bartecki -- Honorary President H. Chojnacki J. Konarski M. Krauss J.S. Kwiatkowski Z. Latajka Organizing and Programme Committee W. Wojciechowski -- Chairman J.P. Hawranek W.A. Sokalski D. Michalska -- Secretary The Workshop: " NEW TRENDS IN COMPUTATIONAL METHODS FOR LARGE MOLECULAR SYSTEMS" is supported by Polish-American M. Sklodowska-Curie Foundation. It is organized in collaboration with National Institute of Standards and Technology and Center for Advanced Research in Biotechnology in Gaithersburg, MD, USA. Workshop leaders: M. Krauss and W.A. Sokalski PRELIMINARY LIST OF CONFIRMED SPEAKERS J. Cioslowski Florida State University, Tallahassee, USA C. Ghio ICQEM-CNR, Pisa, Italy M. Head-Gordon University of California, Berkeley, USA J. Holbrook Bristol University, UK S. Kafafi University of Maryland, College Park, USA M. Krauss NIST, CARB, Gaithersburg, USA B. Lesyng Warsaw University, Poland J. Leszczy''ski Jackson State University, USA K. Morokuma Emory University, Atlanta, USA A. Mulholland Bristol University, UK R. Nalewajski Jagiellonian University, Cracow, Poland G. Naray-Szab~ Eotvos University, Budapest, Hungary R. Osman City University of New York, USA L. Piela Warsaw University, Poland U. Rothlisberger ETH, Zurich, Switzerland J. Rychlewski Poznan University, Poland Full list of speakers will be given in the second announcement (March 1999) Important deadlines: preliminary registration January 30, 1999 payment of early registration fee (US $ 350) February 15, 1999 abstract and final registration May 1, 1999 payment of regular registration fee (US $ 450) May 1, 1999 full text manuscript July 1, 1999 SCOPE OF THE CONFERENCE: * CHEMOMETRICS analytical chemistry, spectroscopy * COMPUTER AIDED RESEARCH molecular design, dynamics, recognition, protein engineering, structure elucidation, synthesis design, etc. * EXPERT SYSTEMS AND DATABASES * COMPUTERS IN CHEMICAL EDUCATION * OTHER APPLICATIONS OF COMPUTERS IN CHEMISTRY SCOPE & TOPICS OF THE WORKSHOP: recent rapid developments in computational chemistry breaking existing barriers in modelling properities of large molecular systems of practical interest in material sciences and biotechnology. Planned lecture include: linear scaling algorithms, Car-Parinello quantum dynamics, QM/MM and DFT methods, effective representation of molecular fragments, protein folding and engineering, modelling enzyme reactions, advances in parallel and distributed processing as well as the use of WWW in teaching computational chemistry, etc. PROGRAMME The CC '99 and Workshop will consist of plenary lectures as well as oral and poster contributions. Poster sessions aill be preceded (optionally) by short oral presentation. The official conference language will be English. The conference will follow the 8-th International Conference on Electrical and Related Properities of Organic Solids (photo-induced phenomena, non-linear optics, nano-technologies, etc.), which will be held in June 26-30 in the same location. contact: e-mail: ERPOS@KCHF.CH.PWR.WROC.PL or http://www.pwr.wroc.pl/POLITECHNIKA/erpos.html CONFERENCE PROCEEDINGS Abstracts of all presentations, received until May 1, 1999 will be published and delivered to each participant at the Registration Desk. Orginal full text contributions can be submitted in triplicate before July 1, 1999 or upon the arrival in Szklarska Porrba and will be published in the special issue of the international journal COMPUTERS & CHEMISTRY edited by Pergamon-Elsevier. All papers will follow the reular refereeing and editorial procedures. Proceedings from previous meetings have already appeared as vol 19(3) 1995, and 22(1) 1998. LOCATION The conference will be held in Szklarska Porrba Zrednia mountain resort in southwestern Poland (150 km from Wroclaw near the border with Czech Republic). Bus transportation from and to Wroc|aw will be available and details will be given in the second announcement. Wroc|aw has direct air connection with Warsaw, Frankfurt/Main, Copenhagen and Vienna as well as train and bus connections with major European cities. Participants and their accompanying persons will be entitled to discount prices by LOT Polish Airlines from June 16 till July 16, 1999. Accommodation will be provided in Granit Hotel (terrace-double rooms with bathrooms). The meetings will take place in an amphitheatrical lecture-hall with 140 chair. The Hotel is also euipped with many facilities such as a swimming pool, fitness club, sauna, tennis courts and bowling room. REGISTRATION AND FEES For preliminary registration use the enclosed registration form and mail it before January 30, 1999. Standard fee including registration, lodging, full board and social events amounts to US $ 450 and must be paid until May 1, 1999. Early registration fee is US $ 350 and can be paid until February 15, 1999. Payment by check or money order issued to: "CC '99 and WORKSHOP" and transferred to: BANK ZACHODNI S.A. II O/Wroclaw account No: 11201665-3418-131-3000-412791/I-30/W-3 IMPORTANT! Due to space limitations in Granit Hotel the number of partcipants is limited and cannot exceed 120. Reduced registration fee for students may be offered at later time, provided that additional funds and space will be available. Mailing address: Computers in Chemistry '99 prof. D. Michalska Institute of Inorganic Chem. Wroclaw Univesity of Technology Wyb. Wyspia''skiego 27, 50-370 WROCuAW, POLAND FAX (+48-71)328-43-30, tel. (+48-71)320-37-59 e-mail: CC99@KCHK.CH.PWR.WROC.PL http://ciamajda.ch.pwr.wroc.pl/cc99.html Workshop correspondence: prof. W. Andrzej Sokalski Molecular Modelling Laboratory Institute of Physical and Theoretical Chemistry Wroclaw University of Technology Wyb. Wyspia''skiego 27, 50-370 WROCuAW, POLAND FAX (+48-71)320-33-63, tel. (+48-71)320-24-57 e-mail: WORKSHOP@KCHK.CH.PWR.WROC.PL PRE-REGISTRATION FORM * please fill in and send to cc99@kchk.ch.pwr.wroc.pl or workshop@kchk.ch.pwr.wroc.pl Computers in Chemistry '99 - pre-registration form Please fill in and send to cc99@kchk.ch.pwr.wroc.pl or workshop@kchk.ch.pwr.wroc.pl as PLAIN ASCII TEXT. Please don't use internal format of any word processing program (like Word, Word Perfect or Ami Pro). First name.............................................................. Last Name .............................................................. Title................................................................... Institution............................................................. Mailing address......................................................... ........................................................................ Phone..................................FAX.............................. E-mail:................................................................. Mr [ ] Mrs [ ] [ ] I wish to receive the Second Circular (March 1999) [ ] I wish to contribute presentation (oral/poster) Due to time limitations, Organizing Committee reserves the right to change the oral presentation into the poster I wish to present software Name of the hardware platform/operating system.......................... [ ] I plan to submit a manuscript for publication in [ ] Number of accompanying persons [ ] Undergraduate/graduate student Tentative Title of the Presentation: ........................................................................ ........................................................................