Subject: Symposium to Honor Michael L. Klein

From: "rjd" <rjd-.at.-olemiss.edu>
Date: Tue, 08 Feb 2005 10:36:46 -0600

Press Release   February 8, 2005

From:          Dr. Douglas Tobias and Dr. Robert Doerksen
Subject:      Michael Klein 65th Birthday Symposium

Venue: American Chemical Society, COMP - Division of
Computers in Chemistry
229th ACS National Meeting, San Diego, CA, March 13-17, 2005

Purpose of symposium:
This symposium honors Professor Michael L. Klein, Hepburn
Professor of Physical Science, Department of Chemistry,
University of Pennsylvania (Philadelphia, PA, USA) and
Director of the Laboratory for Research on the Structure of
Matter also at University of Pennsylvania. Klein is a Fellow
of the American Academy of Arts and Sciences, Fellow of the
Royal Society (UK), and winner of the Rahman Prize (1999)
and CECAM Prize (2004). He has made outstanding
contributions to molecular simulation throughout his career,
often collaborated with industry, is a leading proponent of
science policy and supercomputer development, and has
supervised the education of many students and postdoctoral
fellows, who are honoring him with this symposium on the
occasion of his 65th birthday.

The American Chemical Society conference is a principal
forum for the exchange of information and discussion on the
forefronts of molecular simulation. The program format
consists of 40 invited oral presentations.

Sponsorship:
Sponsorship funding from the following organizations is
helping to ensure the success of this symposium:

Lawrence Livermore National Laboratory, Chemistry and
Materials Science, Livermore, CA

IBM Research Division, Thomas J. Watson Research Center,
Yorktown Heights, NY

Colgate-Palmolive Technology Division, Piscataway, NJ

Laboratory for Applied Drug Design and Synthesis (LADDS),
Department of Medicinal Chemistry, University of
Mississippi, Oxford, MS

Session Details:
The symposium will feature leaders in the field of molecular
simulation, including many former Klein group members.
Sessions are entitled: advances in computer simulation
methods; theory and modeling of polymers, complex fluids,
and glasses; simulation of biological ion channels and
enzyme reactions; structure and dynamics of clusters,
liquids, and materials; and biomolecular interactions:
experiments and modeling.

The symposium will highlight new methodological developments
in molecular dynamics and Monte Carlo technology,
non-Hamiltonian dynamics, coarse-graining, metadynamics,
mixed quantum/classical methods, statistical mechanics,
polarizable force fields, electron dynamics, linear scaling
algorithms. Also featured will be applications of molecular
dynamics (MD) and Monte Carlo simulations, Car-Parrinello
MD, ab initio MD, density-functional theory and QM/MM. The
diversity of physical systems covered is remarkable,
including structured liquids, glasses, ionic liquids, liquid
interfaces, bilayers, colloids, micelles, clusters,
nanoparticles, solids, surfaces, proteins, ion channels,
enzymes, polymers, and such particular cases as
supercritical carbon dioxide, anthrax lethal factor,
supercritical water, vanadium-containing enzymes (relevant
to industrial biocatalysis), polymersomes, water clusters,
molecular wires, DNA-binding, biological membranes. The
properties of interest include molecular conformation,
electronic structure, chemical bonding, dynamics, reaction
mechanisms, function, transport, diffusion, solvation,
intermolecular interactions, hydrogen bonding, ion channel
gating, temperature effects, nucleation, electron tunneling,
chromatography, electrochemistry, ligand docking, and impact
damage. All told it looks to be an extraordinary symposium
which is only fitting to honor the remarkable career-to-date
of Professor Michael L. Klein.

Invited Speakers:
Sanjoy Bandyopadhyay, Indian Institute of Technology
Paolo Carloni, SISSA/ISAS, Trieste
David Chandler, University of California, Berkeley
Bin Chen, Louisiana State University
David Coker, Boston University
Dennis Discher, University of Pennsylvania
Carmen Domene, University of Oxford
Richard Gee, Lawrence Livermore National Laboratory
Francesco Gervasio, ETH (Zurich)
Teresa Head-Gordon, University of California, Berkeley
Jer-Lai Kuo, Nanyang Technological University
Kwang Kim, Pohang University of Science and Technology
Kari Laasonen, University of Oulu
Uzi Landman, Georgia Institute of Technology
Alessandra Magistrato, SISSA/ISAS, Trieste
Glen Martyna, IBM Research, TJ Watson Research Center
Preston Moore, University of the Sciences in Philadelphia
Chris Mundy, Lawrence Livermore National Laboratory
Michelle Parrinello, ETH (Zurich)
Gren Patey, University of British Columbia
Simone Raugei, SISSA/ISAS, Trieste
Ursula Rvthlisberger, Federal Institute of Technology EPFL
Peter Rossky, University of Texas, Austin
Jean-Paul Ryckaert, Universiti Libre de Bruxelles
A. Marco Saitta, Universiti Pierre et Marie Curie
Giacinto Scoles, Princeton University
J. Ilya Siepmann, University of Minnesota
John Shelley, Schrvdinger, Inc.
Christian Simon, Universiti Pierre et Marie Curie
Brian Space, University of South Florida
Michiel Sprik, University of Cambridge
Yashonath Subramanian, Indian Institute of Science
Balasubramian Sundarum, Jawaharlal Nehru Centre for
 Advanced Scientific Research
Mounir Tarek, Universiti Henri Poincari
Robert Thomas, University of Oxford
Vojislava Pophristic, University of the Sciences in
Philadelphia
John Tse, University of Saskatchewan
Mark Tuckerman, New York University
Jost VandeVondele, University of Cambridge
Priya Vashista, University of Southern California

Symposium webpage:
http://www.pharmacy.olemiss.edu/medicinal_chemistry/klein_symposium.html

Symposium organizers:
University of California, Irvine Chemistry professor Dr.
Douglas Tobias and University of Mississippi Medicinal
Chemistry professor Dr. Robert Doerksen are co-organizers of
the event. They can be reached at:

Prof. Doug Tobias
Department of Chemistry, University of California at Irvine,
Irvine,
CA, USA 92697-2025, dtobias-.at.-uci.edu, 949-824-4295
web page:
http://chem.ps.uci.edu/research/faculty/dtobias.html

Prof. Robert Doerksen
Department of Medicinal Chemistry, University of
Mississippi, University, MS, USA 38677-1848,
rjd-.at.-olemiss.edu, 662-915-5880
web page:
http://www.pharmacy.olemiss.edu/medicinal_chemistry/doerksen.html