Dear all, David Shaw's talk will be indeed an interesting one. I encourage you to attend. Alán Aspuru-Guzik | Assistant Professor Harvard University | Department of Chemistry and Chemical Biology 12 Oxford Street, Room M113 | Cambridge, MA 02138 (617)-384-8188 | http://aspuru.chem.harvard.edu ---------- Forwarded message ---------- From: Rosalind Reid <rosalind_reid(a)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(a)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 _______________________________________________ iic-colloquium mailing list iic-colloquium(a)seas.harvard.edu https://lists.deas.harvard.edu/mailman/listinfo/iic-colloquium _____________________________________________ Aspuru-list mailing list Aspuru-list(a)lists.fas.harvard.edu http://lists.fas.harvard.edu/mailman/listinfo/aspuru-list