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InTheLoop | 02.25.2008

The weekly newsletter for Berkeley Lab Computing Sciences

February 25, 2009

Director Chu Will Give State of the Lab Address on Friday

Berkeley Lab Director Steve Chu will give a State of the Lab Address at 1 pm Friday, February 29, in the Bldg. 50 Auditorium.

ASCR Seeks Proposals for Multiscale Math and Optimization for Complex Systems

The Office of Advanced Scientific Computing Research (ASCR) of the DOE Office of Science is soliciting proposals for research addressing multiscale mathematics and optimization for complex natural and engineered systems. Letters of intent are due by March 3, 2008, and full proposals are due by April 28, 2008.

Awards for this solicitation will be made in two categories: Multiscale Mathematics for Complex Systems, and Optimization of Complex Systems. Areas of focus within these categories include the development of (1) mathematical tools needed for the modeling, analysis, and simulation of multiscale phenomena, including those associated with complex multiphysics systems or hybrid discrete-continuum models; and (2) techniques for formulating, analyzing, and solving challenging optimization problems arising in complex natural and engineered systems. Additional areas of interest in both categories include sensitivity analysis, risk analysis, and the quantification and mitigation of uncertainty.

LBNL Team Wins IPDPS Best Paper Award — Again

Work by five Berkeley Lab researchers won the best paper award for the applications track at the annual IEEE International Parallel and Distributed Processing Symposium (IPDPS), which will take place in Miami this April. Samuel Williams and Lenny Oliker of CRD and Jonathan Carter, John Shalf, and Kathy Yelick of NERSC authored the paper “Lattice Boltzmann Simulation Optimization on Leading Multicore Platforms.” Carter, Oliker, and Shalf authored a paper that won the same best paper award at the 2007 symposium. The conference received 410 submissions for four technical tracks: algorithms, applications, architectures, and software.

Seminar This Morning on Modeling Deformations of Carbon Nanotubes

Karthick Chandraseker from the Department of Theoretical and Applied Mechanics at Cornell University will give a seminar on “Atomistic-continuum mechanical modeling of single-walled carbon nanotubes” today (February 25) from 10:00 to 11:00 am in the 50F-1647 conference room. Here is the abstract:

“Carbon nanotubes possess remarkable electrical, thermal and mechanical properties, and their potential applications include such diverse areas as conductive and high strength composites, energy storage and conversion devices, sensors, field emission displays and radiation sources, hydrogen storage media, and nanometer sized semiconductor devices, probes and interconnects. This talk reports on our ongoing work in modeling mechanical deformations of single-walled carbon nanotubes (SWNTs) using enriched continuum models which incorporate atomistic detail into a continuum analysis.

“The talk focuses on two nonlinearly elastic continuum models of SWNTs — a two-dimensional membrane model, and a one-dimensional rod model — in which the continuum strain energies are determined from analytic interatomic potentials and ab initio simulations respectively. The membrane model has been employed in the past to predict localized effects such as buckling modes of the effective continuum. We motivate and propose modifications to the existing membrane model, and employ it to study coupled extension-twist deformations of SWNTs. The rod model is a recent effort motivated by the need to model global behavior of long SWNTs. Numerical results on the elastic moduli for different deformation modes of SWNTs such as extension, twist, bending and shear using these models, will be presented. It will be demonstrated that phenomena such as extension-twist coupling and bending-shear coupling that isotropic, linearly elastic models are unable to quantify, can be captured by such atomistic-continuum models in a unified manner.”

Roberto Car to Discuss Electronic Structure and Tunneling Transport Tomorrow

The Berkeley Lab Molecular Foundry Distinguished Lectureship Series will present a talk by Roberto Car, Professor of Chemistry at Princeton University, from 1:00 to 2:00 pm Tuesday, February 26, in the Bldg. 66 Auditorium. The topic will be “Electronic Structure and Tunneling Transport at Molecule-Metal Junctions.”

Lin-Wang Wang Will Speak at Friday Nano Seminar Series on Campus

Lin-Wang Wang of CRD’s Scientific Computing Group will speak at the UC Berkeley Nanosciences and Nanoengineering Institute’s Friday Nano Seminar Series on February 29 from 2:00 to 3:00 pm in room 180 of Tan Hall. His topic will be “Ab initio calculations for electronic and optical properties of nanostructures.”

Lin-Wang provided this description of the talk:
“I will talk about our 1000-atom ab initio calculations for various types of nanostructures. We use the charge patching method and the linear scaling three-dimensional fragment method to calculate the charge density and electronic states of nanosystems. These electronic states are then used to calculate the optical properties. I will compare the calculated optical properties for quantum dots and wires with the experimental measurements. I will also talk about our recent calculation of organic polymers on top of ZnO surface, and the application of the charge patching method on organic systems.”

Red Cross Offers Free CPR Training

Free CPR training will be available from the American Red Cross on “CPR Saturday,” March 8, 2008. During the 4.5-hour course, participants will learn:

  • adult CPR
  • rescue breathing
  • care for choking victims
  • 911 emergency services
  • information on how to stay safe during emergencies.

After successfully completing a written and hands-on skills test, participants will receive an American Red Cross certificate for adult CPR (good for one year). This free training will be offered in nine Bay Area counties at 12 training locations. Designated locations will also be offering trainings in Spanish, Mandarin, and Cantonese. Wheelchair accessibility and other accommodations are available. Pre-registration is required. For registration information, go to redcrosscprsaturday or call 888-686-3600.

Link of the Week: Extra-Less Films

Bay Area author and editor Kevin Kelly’s blog includes a video clip that shows how four people with a video camera and a computer recreated the D-Day invasion without hiring hundreds of extras. Kelly comments, “What’s new is that the new camera/apps are steadily coming becoming like a word processor — both pros and amateurs use the same one … so that what counts is artistry and inventiveness.”

You can view the video at Extra-Less Films

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About Computing Sciences at Berkeley Lab

The Lawrence Berkeley National Laboratory (Berkeley Lab) Computing Sciences organization provides the computing and networking resources and expertise critical to advancing the Department of Energy's research missions: developing new energy sources, improving energy efficiency, developing new materials and increasing our understanding of ourselves, our world and our universe.

ESnet, the Energy Sciences Network, provides the high-bandwidth, reliable connections that link scientists at 40 DOE research sites to each other and to experimental facilities and supercomputing centers around the country. The National Energy Research Scientific Computing Center (NERSC) powers the discoveries of 6,000 scientists at national laboratories and universities, including those at Berkeley Lab's Computational Research Division (CRD). CRD conducts research and development in mathematical modeling and simulation, algorithm design, data storage, management and analysis, computer system architecture and high-performance software implementation. NERSC and ESnet are DOE Office of Science User Facilities.

Lawrence Berkeley National Laboratory addresses the world's most urgent scientific challenges by advancing sustainable energy, protecting human health, creating new materials, and revealing the origin and fate of the universe. Founded in 1931, Berkeley Lab's scientific expertise has been recognized with 13 Nobel prizes. The University of California manages Berkeley Lab for the DOE’s Office of Science.

DOE’s Office of Science is the single largest supporter of basic research in the physical sciences in the United States, and is working to address some of the most pressing challenges of our time. For more information, please visit science.energy.gov.