POLY - Past meetings - modeling.03-1998

Molecular Modeling of Polymers

March 1-4, 1998
Isle of Palms, South Carolina

General Information

Scope: The workshop covers a range of topics in the molecular description of polymeric fluids and solids. World-renowned experts in the development and applications of molecular modeling of polymers will present recent work in methods ranging from atomistic simulations to field theoretic approaches, as well as methods to bridge different length - and time scales and links to experimental investigations.

Who Should Attend: The workshop is intended for scientists and engineers at all levels of expertise in the field of polymer modeling. Invited speakers will address issues of current importance to the field, and workshop participants will have ample opportunity to discuss fundamentals, recent developments and applications both during and outside of scheduled sessions.

Poster Session: A poster session is planned in order to give the workshop attendees the opportunity to present their own work in the area of molecular modeling of polymers and its applications. Anyone wishing to present a poster should contact one of the workshop organizers with title, authors and affiliation.

Organizers
Gregory C. Rutledge Massachusetts Institute of Technology Dept. of Chemical Engineering Cambridge, MA 02139 Phone: (617) 253-0171 Fax: (617) 258-0546 rutledge@mit.edu	Doros N. Theodorou University of Patras Dept. of Chemical Engineering GR 26500 Patras, GREECE Phone: (+3061) 997 398 Fax: (+3061) 993-255 doros@sequoia.iceht.forth.gr</ A>

Housing and Travel

Wild Dunes Resort is located on the tip of Isle of Palms, South Carolina, 20 minutes from down town Charleston and about 30 minutes from the Charleston International Airport. Hotel reservations should be made directly with Wild Dunes Resort at 800-845-8880 requesting the American Chemical Society group rate of $89 plus tax per night.

American Airlines is offering 5% off any special fare and 10% off full fares to conference participants. Ticket reservations can be made with American Airlines by calling 800-433-1790 and asking to speak with the meeting service desk. Refer to group number 9138UB.

Registration

The registration fee has been set at $550 for Members of the Division of Polymer Chemistry and $600 for Non-Members ($250 Student Members, $300 Student Non-Members). There is a $150 fee for Non-Participating Guest that may accompany you. Written cancellation or registration after February 1 will cost an additional $50. In addition to handout material, the fee includes meals, receptions, breaks, and a banquet.

To register for the Molecular Modeling of Polymers Workshop please send a completed Registration Form (see below) and any remittance to:

Neta L. Byerly, Division of Polymer Chemistry, Inc., Virginia Tech, 201 Hancock Hall, Blacksburg, VA 24061-0257, Phone: 540-231-3029, Fax: 540-231-9452, e-mail: nbyerly@vt.edu.

Registration Form
Prof. Dr. Mr. Ms. Mrs. Miss Name ___________________________ Organization _____________________ Mailing Address ___________________ City___________________ State________________ Zip_________ Country________________ Phone_________________ Fax___________________		Fees $550 Member Registration $600 Non-Member Registration $250 Member Student Registration $300 Non-Member Student Registration $150 Accompanying Guest, Name: $50 Late Fee Total Amount Due: $_______ Payment by: Check , Credit Card VISA or MASTER CARD, Exp. Date Name on Credit Card Account #______________ Signature______________

Technical Program

Sunday, March 1, 1998

6:00 pm	REGISTRATION AND RECEPTION
7:00 pm	Prof. Ulrich W. Suter, Institute for Polymers, ETH-Zurich	Plenary Lecture, "Crystallization in copolymers - simulation and theory"

Monday, March 2, 1998

7:30 am CONTINENTAL BREAKFAST

	Session I:	Thermodynamics and Conformation
8:00 am	Prof. Isaac Sanchez, Dept of Chemical Engineering, University of Texas	"Solubility and conformation of polymers in aqueous solution"
9:00 am	Prof. Athanassios Z. Panagiotopoulos, Institute for Physical Science and Technology, University of Maryland	"Monte Carlo simulations of phase and conformational transitions in polymeric systems"
10:00 am	BREAK
10:15 am	Dr. Bruce Eichinger, Molecular Simulations, Inc.	"Thermodynamics of small molecules, oligomers and polymers, including mixtures"
11:15 am	Prof. Juan J. de Pablo, Dept of Chemical Engineering, Univeristy of Wisconsin	"Novel Monte Carlo methods for simulation of complex polymers: branched polymers and networks"
12:15 pm	LUNCH AND POSTER SESSION
	Session II:	Mesoscopic Structure and Properties
7:00 pm	Prof. Alan H. Windle, Dept. of Materials Science, Cambridge University	"Mesomodelling of polymers"
8:00 pm	Dr. Yves Termonia, E.I. DuPont de Nemours, Inc.	"Molecular modeling of polymer properties"

Tuesday, March 3, 1998

7:30 am CONTINENTAL BREAKFAST

	Session III:	Dynamics of Melts and Glasses
8:00 am	Dr. Do Y. Yoon, IBM Almaden	"Polymer melts: structure and dynamics"
9:00 am	Prof. Richard H. Boyd, Dept of Materials Science, University of Utah	"Molecular dynamics on glasses and Tg"
10:00 am	BREAK
10:15 am	Prof. Burak Erman, Polymer Research Center, Bogazici University	"Local dynamics and the glass transition in polymer systems"
11:15 am	Prof. Lucien Monnerie, ESPCI	"Dynamics of polybutadienes: cooperative kinematics simulations and experimental approaches"
12:15 pm	LUNCH
5:00 pm	BANQUET
	Session IV:	Bridging Length Scales
7:00 pm	Prof. Wayne L. Mattice, Dept. of Polymer Science, University of Akron	"Coarse-graining RIS models on a lattice"
8:00 pm	Prof. Kurt Kremer, Max Plank Institute for Polymer Research	"Bridging the scales from microscopic simulations to semi-macroscopic models"

Wednesday, March 4, 1998

7:30 am	CONTINENTAL BREAKFAST
	Session V:	Theoretical Approaches
8:00 am	Dr. John G. Curro, Sandia National Laboratory	"PRISM of melts, blends, surfaces and interfaces"
9:00 am	Dr. Jaan Noolandi, Xerox	"Very large molecules using mean field methods"
10:00 am	Prof. Arup Chakraborty, Dept. of Chemical Engineering, University of California, Berkeley	"Interfacial behavior of random heteropolymers: field theoretic studies"