aspuru-list April 2011

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23 participants
74 discussions

[Aspuru-Guzik group list] Bittner visit, Wednesday 4/6

by Leslie Vogt

Hello Aspuru-Guzikians, Prof. Eric Bittner will be visiting as the theochem seminar speaker next Wednesday, April 6. His talk will be held in Pfizer at 4pm (no need to travel to MIT!). If you are interested in meeting with him please email me so we can set up time for small groups. There are also limited spots available for dinner after the seminar ... This work should be of interest to many people in the group. As a side note, Carlos Silva's excitonics talk on Tuesday at MIT is the experimental side of this very project! Let me know if you want to schedule time to meet Prof. Bittner, Leslie --------------------- *Bose Einstein condensation of Exciton/Polaritons in organic thin film quantum wells: theory and * *experimental prospects. * Abstract: Recent experiments on thin-film microcavities give evidence of Bose condensation of exciton-polariton states. Inspired by these observations, we consider the possibility that such exotic ``half-light/half matter" states could be observed in thin-film organic semiconductors where the oscillator strength is generally stronger than in inorganic systems. In my talk, I present a theoretical model and simulations of macroscopic exciton-polartiton condensates in anthracene thin films sandwiched within a micro-meter scale resonant cavity and establish criteria for the conditions under which BEC could be achieved in these systems.

13 years, 1 month

[Aspuru-Guzik group list] Fwd: [Users] NERSC Training April 5: "Materials Science and Chemistry Applications"

by Alan Aspuru-Guzik

Very good training on how to run quantum chemistry packages on the supercomputer... Alan Alán Aspuru-Guzik | Associate 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 | http://about.me/aspuru ---------- Forwarded message ---------- From: Richard Gerber <ragerber(a)lbl.gov> Date: Fri, Apr 1, 2011 at 3:23 PM Subject: [Users] NERSC Training April 5: "Materials Science and Chemistry Applications" To: users(a)nersc.gov Dear NERSC Users, A NERSC training event, "Materials Science and Chemistry Applications," will be presented Tuesday, April 5, 2011, from 10:00 -12:00 PDT. The event will be presented simultaneously at the NERSC Oakland Scientific Facility and as a webcast. ABSTRACT The first hour of the training is targeted to new or beginning users who are running material science and chemistry application codes at NERSC. We will address things you should know to run the application codes efficiently. The second hour is targeted to those users who want to compile the application packages on our machines. We will address things you should know to compile and run the material science and chemistry codes yourself. MORE INFO Please visit https://newweb.nersc.gov/users/training/events/chem-mat-sci/ for more information and to register. Registration is free, but please register. If we reach our WebEx capacity, we will accomodate registered users first. Remote connection information is available at https://newweb.nersc.gov/users/training/events/chem-mat-sci/web-meeting-inf… Regards, Richard Gerber -- Richard Gerber, Ph.D. High Performance Scientific Computing Consulting National Energy Research Scientific Computing Center Lawrence Berkeley National Laboratory Berkeley, CA phone: 510-486-6820 _______________________________________________ Users mailing list Users(a)nersc.gov

13 years, 1 month

[Aspuru-Guzik group list] Fwd: Online Tutorials Available to TeraGrid Users

by Alan Aspuru-Guzik

Dear group members, Here is a set of interesting Teragrid tutorials on high-performance computing. Alan Alán Aspuru-Guzik | Associate 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 | http://about.me/aspuru ---------- Forwarded message ---------- From: <news(a)teragrid.org> Date: Fri, Apr 1, 2011 at 9:31 AM Subject: Online Tutorials Available to TeraGrid Users To: A new message has been posted to TeraGrid News. Categories: Training and Conferences, NCSA Learn about High Performance Computing and using the TeraGrid for free, at your own pace, at anytime, and from anywhere! A number of online tutorials are available to TeraGrid users on NCSA''s web-based training environment "CI-Tutor":http://www.citutor.org. The courses currently offered are: * Access Grid Tutorials * BigSim: Simulating PetaFLOPS Supercomputers * Debugging Serial and Parallel Codes * Getting Started on the TeraGrid * Intermediate MPI * Introduction to MPI * Introduction to Multi-core Performance * Introduction to OpenMP * Introduction to Performance Tools * Introduction to Visualization * Multilevel Parallel Programming * Parallel Computing Explained * Parallel Numerical Libraries * Performance Tuning for Clusters * Tuning Applications for High Performance Networks ''Introduction to MPI'' was the first course offered in 2000 and to-date over 20,000 students have enrolled in it. This course was developed by collaboration among five institutions -– Ohio Supercomputer Center, the National Center for Supercomputing Applications, Boston University, the University of Kentucky, and the University of New Mexico. It includes thirteen lessons on key topics to give students a comprehensive understanding of MPI. A self-test and programming exercise is included in each lesson to help students self-evaluate their grasp of the material. The programming exercises build on each other as new materials are introduced in each lesson. If you are new to the TeraGrid, it is highly recommended that you take the tutorial ''Getting Started with the TeraGrid.'' This tutorial provides you with the general information you need to quickly get started using the TeraGrid. Topics covered include: * connecting and logging in to a TeraGrid resource * maintaining security * using login shells in a Unix-like environment * managing your account * working with TeraGrid files and file systems * transferring files * customizing your software environment * compiling and running jobs ''Introduction to Performance Tools'' was the latest course released. It gives an overview of four commonly used performance tools -Strace, Gprof, Perfsuite, and TAU so you can choose and use the most appropriate one(s) for your analysis. These tutorials are open to everyone but do require creation of a user account. Once you create an account, you may enroll in multiple tutorials using the same account. "http://www.citutor.org":http://www.citutor.org Posted on 01-APR-2011 09:27 US Pacific Time by Sandie Kappes _______________________________________________________________ This message was generated by TG News v2.0. It can be viewed on the Web at http://news.teragrid.org/view-item.php?item=5161. To view RSS options, unsubscribe or change the categories to which you are subscribed, please visit http://news.teragrid.org/manage.php.

13 years, 1 month

[Aspuru-Guzik group list] Experimental &Theoretical Postdoc Positions-Quantum Information | U.S. Army ...

by Man Hong

The US army is hiring quantum computer scientist. (I think it is not an April's fool joke) Sent to you by Man Hong via Google Reader: Experimental &Theoretical Postdoc Positions-Quantum Information | U.S. Army Research laboratory via Physics Today Jobs Search Results postdoc on 4/1/11 US - DC - Washington, Experimental and Theoretical Postdoctoral Positions in Quantum Information Science The U.S. Army Research laboratory in suburban Washington DC may have two postdoctoral positions available, Things you can do from here: - Subscribe to Physics Today Jobs Search Results postdoc using Google Reader - Get started using Google Reader to easily keep up with all your favorite sites

13 years, 1 month

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aspuru-list April 2011