aspuru-list March 2008

aspuru-list@lists.fas.harvard.edu

13 participants
51 discussions

[Aspuru-Guzik group list] ACS Fall 2008

by Roberto Olivares-Amaya

Hi The time has come to submit poster abstracts for the Fall ACS conference at Philadelphia starting August 17. The deadline is really soon (Monday, March 17th). Here is a link <http://pubs.acs.org/cen/meetings/86/8604meetings.html> for the Call for Papers page. We should let Alan know who is going. All the best Roberto

16 years, 1 month

[Aspuru-Guzik group list] [Theochem] Wednesday lecture

by Seth Difley

Please take note of the Theochem lecture this Wednesday. Title-- Variational Transition States, Tunneling, Reaction Kinetics, and Enzyme Catalysis Speaker-- Donald Truhlar (University of Minnesota) http://comp.chem.umn.edu/truhlar/ Time-- Wed, March 12, 2008 4PM Place-- MIT (24-121) http://whereis.mit.edu/map-jpg?mapterms=24-121 More Information-- http://people.bu.edu/theochem

16 years, 1 month

[Aspuru-Guzik group list] [iic-seminars] Sauro Succi Lectures - Introduction to Computational Multiphysics

by Helene Tingle

Initiative in Innovative Computing @ Harvard Computational Multiphysics Lecture Series March 13, 14, 17, 18, 2008; 9:00am - 11:00am Space is limited. Please RSVP to helene_tingle(a)harvard.edu. Sauro Succi, Visiting Scholar, Initiative in Innovative Computing at Harvard & Istituto Applicazioni Calcolo, National Research Council, Roma, Italy Seminar Title: An Introduction to Computational Multiphysics Abstract: Modern science is increasingly faced with problems of ever greater complexity, straddling across the traditional disciplinary boundaries between physics, chemistry, material science and biology. Computational science is responding to this challenge with a stead- fast development of innovative modeling techniques, designed in such a way as to offer an optimal handling of the information transfer procedures connecting the different scales/levels involved in the quantitative description of the aforementioned complex phenomena. This entails the seamless coupling between different mathematical representations of various physical phenomena at widely disparate scales, from continuum fields to probability distribution functions and atomistic trajectories, all the way down to many-body quantum wave functions. In this series of lectures, we shall provide an introduction to the basic ideas behind these triple-M (multiscale/ multiphysics/multilevel) techniques, together with the illustration of a few practical examples, drawn from concrete applications in leading areas of multiphysics research, such as micro/nanofluidics, turbulence and material science. Lectures: Part I: Theoretical Background March 13, 2008; 9:00am—11:00am Lecture 1: Motivations for Triple-M (Multi-scale/physics/level) Modeling Lecture 2: Basic Notions of Computational Multi-physics March 14, 2008; 9:00am—11:00am Lecture 3: Multiscale methods: mathematical formulation Lecture 4: Multiscale methods: computational procedure Part II: Selected Applications March 17, 2008; 9:00am—11:00am Lecture 5: Microfluidics, the moving contact line problem Lecture 6: Nanofluidics, biopolymer translocation through nanopores March 18, 2008; 9:00am—11:00am Lecture 7: Boltzmann approach to turbulence modeling Lecture 8: Macro-Atomistic-Ab initio-Dynamics approach to fracture dynamics _______________________________________________ iic-seminars mailing list iic-seminars(a)calists.harvard.edu http://calists.harvard.edu/mailman/listinfo/iic-seminars

16 years, 1 month

[Aspuru-Guzik group list] [iic-seminars] IIC Seminar Reminder - David Hogg on March 12th

by Helene Tingle

Initiative in Innovative Computing @ Harvard Seminar Series Wednesday, March 12, 2008; 4:00pm 60 Oxford Street, Room 330 David Hogg, Associate Professor, Department of Physics, New York University Seminar Title: Making the Sky Searchable Abstract: For the purposes of (a) restoring the meta-data of archived astronomical imaging data, (b) adding meta-data to amateur data and thereby bringing them into the professional domain, (c) relieving hardware and software projects from demanding astrometric requirements, and (d) making life better for observers, we have created a web service that automatically calibrates astronomical image coordinate systems. This system makes use *only* of the information in the image pixels, and needs no prior information about image pointing, rotation, or plate scale. I will demo the system, describe how it works, and summarize future plans for implementation, enhancement, and scientific discovery. Upcoming IIC Seminars: Continue to stay up to date with our IIC Seminar Schedule. Parking is available in the 52 Oxford Street Garage. Please tell the attendant that you are attending the IIC Seminar. _______________________________________________ iic-seminars mailing list iic-seminars(a)calists.harvard.edu http://calists.harvard.edu/mailman/listinfo/iic-seminars

16 years, 1 month

[Aspuru-Guzik group list] Monday March 10 agenda

by Edward Farhi

Dear Quantum Aficionados Again On Monday Jake and Daniel will talk about their work on improving clock sensitivity. Best, Eddie :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::: Edward Farhi Professor of Physics Director Center for Theoretical Physics Massachusetts Institute of Technology Building 6 Room 300 Cambridge MA 02139 617 253 4871 ::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::

16 years, 1 month

[Aspuru-Guzik group list] Monday March 3

by Edward Farhi

Dear Good Quantum People We will meet on Monday March 3 at 3:00 in our usual spot. I don't remember what we planned on discussing so somebody can tell us tomorrow. Best, Eddie :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::: Edward Farhi Professor of Physics Director Center for Theoretical Physics Massachusetts Institute of Technology Building 6 Room 300 Cambridge MA 02139 617 253 4871 ::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::

16 years, 1 month

[Aspuru-Guzik group list] GPU meeting and volunteers for regisration table.

by Alan Aspuru-Guzik

Dear group members, Great. All of the ones that wrote are welcome to attend the GPU meeting. I think there will be enough food, but if there is not, then I will probably ask you get your own lunch. With regards to other things, who of the people that are attending wakes up early and wants to help wtih the registration table. Ideally to be there at around 7.30 or 7.45 in anticipation of anybody arriving early? Alan -- Alan Aspuru-Guzik Assistant Professor Department of Chemistry and Chemical Biology 12 Oxford Street Harvard University Cambridge, MA 02138 Tel: (617)384-8188 Group URL: http://aspuru.chem.harvard.edu

16 years, 1 month

[Aspuru-Guzik group list] GPU Meeting Program

by Alan Aspuru-Guzik

Dear all, See the announcement below. Please note that the title for Martin Karplus's talk is: "Simulations in structural biology". See you at 12 Oxford Street, at 8.30 AM on Monday, Alan Hello GPUers ! Welcome to the HaRiken Symposium on General Purpose Graphical Processing Units and their application to scientific high performance computing. Please find attached the pdf file describing the HaRiken Meeting complete with program. Please note that the meeting is in Mallinckrodt Hall, 12 Oxford St. on Monday March 10 and is in the LISE building, 11 Oxford St. on Tuesday, March 11. For those coming from Riken, welcome ! I will be at the DoubleTree hotel on Sunday night, 3/9/08, at 6 pm to meet you. You will find a packet of useful materials at the hotel when you arrive. Please feel free to call me anytime on my cell phone. I look forward to seeing you all and having a stimulating symposium. Yoroshiku onegai itashimasu (please treat me favorably) ! Mike Stopa -- Michael Stopa Director: National Nanotechnology Infrastructure Network Computation Project Center for Nanoscale Systems Harvard University 11 Oxford St. Cambridge, MA 02138 phone: 617-496-1931 cell: 617-699-9258 -- Alan Aspuru-Guzik Assistant Professor Department of Chemistry and Chemical Biology 12 Oxford Street Harvard University Cambridge, MA 02138 Tel: (617)384-8188 Group URL: http://aspuru.chem.harvard.edu

16 years, 1 month

[Aspuru-Guzik group list] emergancy contacts

by Orpha Rivera

Dear Group, I've been contacted by the facilities office to ask for your emergency contact information. Please provide me with this info at your earliest convenience. Thank you, Orpha -- *********************************************** Orpha Rivera, Lab Administrator, Professor Alán Aspuru-Guzik Laboratory, Department of Chemistry and Chemical Biology, 12 Oxford Street, Harvard University Cambridge, MA 02138 Tel: (617) 496-9964 Fax: (617) 496-9411 *********************************************

16 years, 1 month

[Aspuru-Guzik group list] Posters!

by Roberto Olivares-Amaya

Dear Group The posters are in! Thanks to everybody for their help. Roberto

16 years, 1 month

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aspuru-list March 2008