From KUS%SUEARN2.BITNET()at()mps.ohio-state.edu Sun Nov 10 15:12:29 1996 Received: from phyas1.mps.ohio-state.edu for KUS%SUEARN2.BITNET' at \`mps.ohio-state.edu by www.ccl.net (8.8.2/950822.1) id OAA08744; Sun, 10 Nov 1996 14:52:22 -0500 (EST) From: Received: from SUEARN2.BITNET (MAILER;at;SUEARN2) by MPS.OHIO-STATE.EDU (PMDF V5.0-6 #15327) id <01IBONR369DS8WYZAA "at@at" MPS.OHIO-STATE.EDU> for CHEMISTRY "at@at" www.ccl.net; Sun, 10 Nov 1996 14:51:23 -0500 (EST) Date: Sun, 10 Nov 1996 22:48 +0000 (MSK) Subject: International symposium CACR96 in Russia To: CHEMISTRY-0at0-www.ccl.net Message-id: <01IBONR371MQ8WYZAA ^at^ MPS.OHIO-STATE.EDU> Content-transfer-encoding: 7BIT Dear computational chemists, I'm glad to propose you the announcement of conference we'll organize at Dec. 17-18 in Moscow. Below you'll find first announcement. You may find it also at our WWW server (URL is peresented in the body of this announcement itself). Dr. Mikhail Kuzminsky, N.D.Zelinsky Institute of Organic Chemistry Moscow First Announcement COMPUTER ASSISTANCE TO CHEMICAL RESEARCH International Symposium, organized by Computer Assistance to Chemical Research Center of Russian Academy of Sciences, Silicon Graphics,Inc. and Russian Foundation for Basic Research Moscow, Russia, December 17-18, 1996 The Organizing Committee is pleased to inform you that the symposium "Computer Assistance to Chemical Researches" will be held on December 17-18 in Moscow, Russia. The aim of the conference is to present a state- of-the-art description and critical examination of all aspect of the applications of computers in chemistry. You are cordially invited to participate in the Conference and submit papers. 1. PREFACE Molecular modeling and simulation techniques play an important role in development of affordable chemicals and materials with novel or enhanced performance characteristics by helping to provide a more focused, molecular-level understanding of chemical products and processes, which in turn can help to guide future experimental work. In correlation with the exponential growth of computer power availability, molecular modeling methods impose themselves nowadays as unique tools in all areas of chemical and physico-chemical research. These methods encompass computational quantum chemistry as well as force field-based molecular dynamics and Monte Carlo simulations of statistical ensembles. The purpose of the symposium is to gather academic scientists and representatives from industrial research and educational institutions, in order to review the state of the art in the computational methodologies in all aspects of chemistry and chemical engineering and to identify promising opportunities as well as present limitations. Emphasis will be made on the problems that arise when the studied systems are large or when chemically accurate calculations are desired, and when attempts are made to include in the calculations most of the effects (solvent, electric fields, etc.) that surround a molecule or system in a real situation, molecular visualization and interactions, database searching and management, and specialized applications. The presentations by experts from Silicon Graphics - the world leader in development scientific hardware and software for chemistry - which will be devoted to computational chemistry, bioinformatic, databases, molecular graphics, collaborative environments, etc., will stimulate understanding of current and future trends in methods and technologies in chemistry. We hope that this event will offer an opportunity for a critical review of the most recent advances in quantum chemistry and modeling methodologies as well as help to provide orientation in the search for guidelines and future trends in the field. 2. SCIENTIFIC PROGRAM The main topic of the conference are (1) Computer Aided Chemical Education (2) Information Resources for Chemists (3) Visualization of Chemical Information (4) Molecular Modeling (5) Semi-Empirical and ab initio Quantum Chemistry, Density Functional Methods. (6) New Algorithms and Techniques in Computational Chemistry Besides 10 plenary lectures of 40 minutes the scientific program will include two poster sessions. The plenary lectures will be delivered by leading Russian experts in different branches of computational chemistry and by specialists of scientific department of Silicon Graphics. The poster sessions will be emphasized to stimulate closest interest and active discussion. All the authors of poster presentations will have 3-5 minutes at their disposal for oral announcement of their contributions using transparencies. There will be also good opportunities for small group and one-to-one discussions. 3. CALL FOR PAPERS All authors are requested to submit a one-page abstract in camera ready form to Dr. Ivan N. Senchenya Zelinsky Institute of Organic Chemistry Russian Academy of Sciences Leninsky pr., 47 Moscow B-334, 117913 Russia e-mail: IS()at()IOC.AC.RU The abstracts should be on white A4 paper with free margin of 2.5 cm around. They should start with title (bold capitals, 14 points) followed by the name(s) of the author(s) and affiliation(s) (bold). The text should be typed 1.5 spaced with use of Times Roman, Helvetica or a similar type face of 12 point size. All abstracts submitted by November 25, 1996 and accepted for presentation will be included into booklet of Abstracts which will be distributed to the participants at the conference registration desk. We consider also the possibility to publish full text papers in leading scientific Russian journals. Additional information will be provided in the second announcement. Note: In addition to 3 hard copies please provide us also a file prepared as winword document on a floppy 3.5'' disk or send it via e-mail as an attached .doc file. It is also possible to upload a binary winword document via ftp. Additional information on the latter will be provided in the second announcement. 4. CONFERENCE FEE There will not bee any conference fee for this conference. 5. LOCATION The conference will take place in Moscow, at N.D.Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, Leninsky prospect, 47. The conference venue can be reached easily by public transport: >From metro station "Leninsky prospect: 10 minutes by foot or take any kind of public transport (bus 111, tr. 4, 33, 62) till stop "VKP" (Institute is located on the opposite side of the street). 6. WEATHER The weather forecast will be send in a week prior the conference. 7. SPONSORS The Organizing Committee acknowledges financial support from: - Silicon Graphics, Inc. - Russian Foundation for Basic Research - N.D.Zelinsky Institute of Organic Chemistry - Russian Academy of Sciences 8. REGISTRATION Please fill the attached form in, and return it by E-mail. Please complete in BLOCK CAPITALS: ___________________________________________________________ Last Name: First Name: Position: Organization: Address: City and Postal Code: Country: Phone: Fax: e-mail: ___________________________________________________________ Deadline for registration is November 20, 1996. 9. HOUSING: The organizers will not make housing reservations. Information about the hotels located at a walking distance from the conference will be send to interested persons after request. 10. MAILING ADDRESS Dr. Ivan N. Senchenya Zelinsky Institute of Organic Chemistry Russian Academy of Sciences Leninsky pr., 47 Moscow B-334, 117913 Russia Abstracts are due by November 25. To help with our planning, however, we need to know by the middle of November if you are planning to submit an abstract. 11. LOCAL ORGANIZING COMMITTEE : Evgeny Agarkov agarkove(-(at)-)moscow.sgi.com Mikhail Kuzminsky kus -x- at -x- free.net Andrey Mendkovich asm %-% at %-% free.net Ivan Senchenya is ^at^ ioc.ac.ru 12. CONFERENCE PROGRAM The programme consists of four sessions of oral presentations. A detailed provisional programme will be send in two weeks prior the conference. On both days there will be a session of about three hours which will include poster session and a round table discussion all in the same location. 13. CONFERNCE WWW PAGE: http://www.ioc.ac.ru/Chemistry/Conf/Dec96/cacr96.en.html 14. FURTHER INFORMATION The second announcement will be send in the middle of November. Please forward this information to all interested persons. Thank you.