From young \\at// argus.cem.msu.edu Fri May 24 19:49:25 1996 Received: from argus.cem.msu.edu for young: at :argus.cem.msu.edu by www.ccl.net (8.7.5/950822.1) id SAA15995; Fri, 24 May 1996 18:59:30 -0400 (EDT) From: Received: from slater.cem.msu.edu by argus.cem.msu.edu via ESMTP (951211.SGI.8.6.12.PATCH1042/951211.SGI) for id SAA25289; Fri, 24 May 1996 18:59:28 -0400 Received: by slater.cem.msu.edu (951211.SGI.8.6.12.PATCH1042/) for CHEMISTRY # - at - # www.ccl.net id TAA12327; Fri, 24 May 1996 19:00:27 -0400 Date: Fri, 24 May 1996 19:00:27 -0400 Message-Id: <199605242300.TAA12327 ^%at%^ slater.cem.msu.edu> To: CHEMISTRY -x- at -x- www.ccl.net Subject: Summer Workshops Reply-To: Dr. James F. Harrison The Chemistry Department, Michigan State University offers two workshops Concepts, Techniques & Applications of Electronic Structure Methods in Chemistry & Scientific Visualization Summer 1996 Schedule Concepts, Techniques & Applications of Electronic Structure Methods in Chemistry July 8, 9 & 10 July 15, 16 & 17 July 22, 23 & 24 Scientific Visualization July 11 &12 July 18 & 19 July 25 & 26 *** The two workshops are independent and may be taken individually *** Workshop Sponsors College of Natural Science Department of Chemistry Center for Fundamental Materials Research Crop and Food Bioprocessing Center MSU is an Affirmative Action/Equal Opportunity Institution ---------------------------------------------------------------------------- Concepts, Techniques & Applications of Electronic Structure Methods in Chemistry An intensive three day workshop on the application of modern electronic structure methods to chemistry. The workshop consists of lectures which provide an overview of theoretical techniques and laboratory sessions in which participants receive hands-on experience on a wide variety of chemical problems using the techniques discussed in lecture. An important goal of this workshop is to develop a sense of which computational techniques are appropriate for a particular problem and when computation may not be the best approach. The capabilities, limitations and characteristics of several electronic structure codes including Gaussian 92, GAMESS, SPARTAN, and DMol will be discussed and demonstrated. This workshop will be of interest to professionals in Chemistry, Biochemistry, or Materials Science who use or make use of the results of computational chemistry in their work. Each participant will have exclusive use of a Silicon Graphics workstation during the workshop and enrollment will be limited to six participants/course, ensuring individual attention. Course Fee $600 Fee includes tuition, lecture and laboratory materials. A limited number of partial tuition scholarships are available to faculty from four-year colleges. Workshop Instructor Dr. James F. Harrison, Professor, Department of Chemistry, Michigan State University received his Ph.D. from Princeton University in 1966, and was an NSF postdoctoral fellow at Indiana University from 1966 to 1968 when he joined the faculty in Chemistry at MSU. He has twenty five years experience in teaching theoretical chemistry at all levels of the chemistry curriculum. He has published 90 papers on various aspects of computational chemistry. Workshop Structure There will be lectures each day from 8:30 a.m. until noon and a laboratory session from 1:30 until 5:30 p.m. Included will be an optional laboratory in the evening from 7:30 until 10:00 p.m. during which participants can work on problems of their own with the guidance of the workshop instructor. Topics to be discussed include: Restricted and unrestricted Hartree-Fock theory and applicability Basis sets and the reliability of a calculation Geometry optimization and vibrational frequencies Density Functional theory and its applications Electron density and electrostatic potentials Semi-empirical methods: when to use one and why Moller-Plesset perturbation theory and configuration interaction: when to use them Multiconfiguration self-consistent field (MCSCF) Comparison of functionality of various codes including Gaussian 92, GAMESS, SPARTAN and DMol ---------------------------------------------------------------------------- Scientific Visualization An intensive 2 day workshop on the methods and techniques of scientific visualization. The workshop consists of lectures on visualization topics followed by a laboratory in which participants will gain practical experience in applying the concepts discussed in lecture. The workshop will be especially valuable to scientists and engineers who are interested in using visualization techniques in their data analysis and who want an overview of the procedures, scope, and limitations of scientific visualization. We will focus on the use of the visualization program Iris Explorer, which provides a powerful environment for visualizing 2- and 3-dimensional data sets using procedures that are independent of the means used to generate the data files being visualized. Each participant will have exclusive use of a Silicon Graphics workstation during the workshop and enrollment will be limited to six participants per course, ensuring individual attention. Course Fee $400 Fee includes tuition, lecture and laboratory materials. A limited number of partial tuition scholarships are available to faculty from four-year colleges. Workshop Instructors Mr. David Young, graduate assistant, Department of Chemistry, Michigan State University has degrees from MSU in Computational Mathematics and Chemistry and is working on his Ph.D. in Theoretical Chemistry. He has 4 years experience in using and teaching visualization techniques to undergraduate and graduate students in a variety of disciplines. Mr. Paul Reed, computer specialist, Department of Chemistry, Michigan State University has a B.S. in Computer Science from MSU and is working on his masters degree in Computer Science. He has five years experience in scientific visualization and has played a leading role in the development of the MSU Chemistry Visualization Facility. Dr. James F. Harrison (see previous page). Workshop Structure There will be a one-hour lecture and a three-hour laboratory each morning (8:00-12 noon) and afternoon (1:30-5:30) Topics to be discussed include: Explorer basics (modules, maps, libraries, linking modules, terminology) Building maps (data types, linking, strategy) Rendering (lights, colors, render modes, display modes) DataScribe (templates, glyphs, arrays, lattices, icons, procedure, limitations) Advanced Explorer topics (loops and scripting, building modules, customizing the setup parameter functions) Types of visualizations, (structure, 1D, 2D, 3D, vector quantities, animations) Colorizations (HSV vs. RGB, linear and nonlinear colormaps) ---------------------------------------------------------------------------- 1996 Summer Workshops Registration Form ---------------------------------------------------------------------------- Participants may register by returning the following form or electronically. (http://www.ccem.msu.edu/sumws/sumws.html) However, payment must be submitted as described below. Name: --------------------------------------------------------------------- Affiliation: -------------------------------------------------------------- Address (First Line): ----------------------------------------------------- Address (Second Line): ---------------------------------------------------- State: -------------------------------------------------------------------- Zip: ---------------------------------------------------------------------- Telephone: ---------------------------------------------------------------- Email: -------------------------------------------------------------------- Fax: ---------------------------------------------------------------------- Please indicate first, second or third choice: Electronic Structure Fee: $600 Visualization Fee: $400 July 8-10 July 11-12 -------------- --------------- July 15-17 July 18-19 -------------- --------------- July 22-24 July 25-26 -------------- --------------- Make checks payable to: "Michigan State University", in U.S. funds. Workshop fees include tuition, lecture, and laboratory materials. A limited number of partial tuition scholarships provided by the Materials Research Science and Engineering Center (MRSEC) and the office of the Vice Provost for University Outreach are available to faculty from four-year colleges. All workshop sessions are limited to six participants, and spaces are reserved based on receipt of this completed form and prepaid workshop fee(s). All registrations must be received by June 21. Complete housing reservation information and workshop details will follow upon workshop confirmation. For further information or to arrange special handicapper accommodations Mail registration form and please contact: fees to: Professor James F. Harrison MSU College of Natural Science Chemistry Department Outreach Programs Michigan State University 215 North Kedzie Lab East Lansing, MI 48824-1322 East Lansing, MI 48824 Phone: 1-517-355-9715 ext. 295 Fax: 1-517-353-1793 email: harrison -8 at 8- cemvax.cem.msu.edu Deadline: June 21 MSU is an Affirmative Action/Equal Opportunity Institution