---------- Forwarded message ----------
From:
Rosalind Reid <rosalind_reid@harvard.edu>
Date: 2010/1/25
Subject: [Aspuru-Guzik group list] [iic-colloquium] First Distinguished Lecture in Computational Science Feb. 3: "Anton" with David E. Shaw
To:
iic-colloquium@seas.harvard.edu
You are cordially invited to the first Distinguished Lecture in
Computational Science, sponsored by the Harvard School of Engineering
and Applied Sciences in conjunction with the Initiative in Innovative
Computing.
This is one of four lectures this semester continuing the IIC-CS Joint
Colloquium series. (For more about the series, see
http://tinyurl.com/yafh7kw
and
iic.harvard.edu.)
**********
Anton: A Specialized Machine for Millisecond-Scale Molecular Dynamics
Simulations of Proteins
Wednesday, Feb. 3, 4:00 pm
Room G-115, Maxwell Dworkin, 33 Oxford Street, Cambridge
David E. Shaw, Chief Scientist, D. E. Shaw Research
Abstract
The ability to perform long, accurate, atomic-level molecular dynamics
(MD) simulations could in principle provide insights into the
structural, dynamic, and functional characteristics of proteins at an
atomic level of detail. Many biologically important phenomena,
however, occur over timescales that have previously fallen far outside
the reach of MD technology. D. E. Shaw Research has constructed a
specialized, massively parallel machine, called Anton, that is capable
of performing all-atom simulations of proteins in an explicitly
represented solvent environment at a speed roughly two orders of
magnitude beyond that of the previous state of the art. Using novel
algorithms developed within the Shaw lab, the machine has now
simulated the behavior of a number of proteins for periods as long as
a millisecond—approximately 100 times the length of the longest
previously published MD simulation—revealing aspects of protein
dynamics that were previously inaccessible to both computational and
experimental study.
About the Speaker
David E. Shaw serves as Chief Scientist of D. E. Shaw Research and as
a Senior Research Fellow at the Center for Computational Biology and
Bioinformatics at Columbia University. He received his Ph.D. from
Stanford University in 1980, served on the faculty of the Computer
Science Department at Columbia until 1986, and founded the D. E. Shaw
group in 1988. Since 2001, Dr. Shaw has devoted his time to hands-on
research in the field of computational biochemistry. He is now
personally involved in the development of new algorithms and machine
architectures for high-speed molecular dynamics simulations of
biological macromolecules, and in the application of such simulations
to basic scientific research in structural biology and biochemistry
and to the process of computer-aided drug design. Although he leads
the lab’s research efforts in his role as Chief Scientist, his focus
is largely technical, with limited involvement in operational and
administrative management. Dr. Shaw was appointed to the President's
Council of Advisors on Science and Technology by President Clinton in
1994, and again by President Obama in 2009. He is a fellow of the
American Association for the Advancement of Science, and was elected
to its board of directors in 1998. He is also a fellow of the American
Academy of Arts and Sciences, and serves on the Computer Science and
Telecommunications Board of the National Academies.
---------------
Refreshments will be served at 3:45 pm.
Mark your calendar for the upcoming IIC Colloquia:
Feb 10, 4:00 pm: Alexander Gray, Professor of Mathematics and Computer
Science, Georgia Institute of Technology
Feb. 24, 4:00 pm: Bruce Boghosian, Professor and Chair, Department of
Mathematics, Tufts University
For more information about IIC colloquia and other events :
http://iic.harvard.edu/events/upcoming
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