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Workshop Agenda

Large Scale Computing and Storage Requirements for Basic Energy Sciences

A BES / ASCR / NERSC Workshop

February 9-10, 2010

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The day-and-a-half workshop will be held all day Tuesday, February 9 and on the morning of Wednesday, February 10, 2010.

Due to weather conditions in the Washington, D.C. area, the workshop was held as a teleconference/web conference.

Hilton Washington DC/Rockville Executive Meeting Center 1750 Rockville Pike Rockville, MD 20852

Tuesday, February 9

EST

PST

Topic

Presenter

9:00

12:00

Test teleconference and WebEx connections.

9:30

6:30

Welcome, introductions, workshop goals, charge to committee

Yukiko Sekine,
DOE-SC/ASCR

9:45

6:45

Workshop outline, logistics, format, procedures

Richard Gerber, NERSC

10:00

7:00

BES Program Office Research Directions

Mark Pederson , DOE / BES

10:30 a.m.

7:30 a.m.

NERSC Role in Basic Energy Sciences Research

Kathy Yelick, NERSC Director

11:30 a.m.

8:30 a.m.

Break

11:50

8:50

Case Studies: Geosciences
DOE POC: Nicholas Woodward

Andrew Felmy
Greg Newman
Tony Ladd

13:00

10:00

Case Studies: Density Functional Theory,
DOE POC: Jim Davenport

G. Malcolm Stocks
Hai-Ping Cheng
Lin-Wang Wang

14:25

11:25

Break

14:50

11:50

Case Studies: Quantum Monte Carlo
DOE POC: Mark Pederson

Burkhard Militzer
Mark Jarrell
Brian Austin

16:10

13:10

Case Studies: Spectroscopy and Light-Matter Interactions
DOE POC: Jim Davenport

Thomas Devereaux
Jeffery Neaton

17:30

14:30

Break

17:40

14:40

Case Studies: Classical Molecular Dynamics Codes and Coupling of Length Scales
DOE POC: Mark Pederson

Peter Cummings
Normand Modine
Randy Cygan

18:40

15:40

Case Studies: Chemical Physics Codes
DOE POC: Mark Pederson

James Muckerman
Thomas Miller
Habib Najm

19:30

16:30

Adjourn for the day

Wednesday, February 10

EST

PST

Topic

Presenter

9:30

6:30

Join teleconference and WebEx conference

10:00

7:00

Summary of previous day's discussions

Harvey Wasserman, NERSC

10:30

7:30

Case study format review; sample case study

Richard Gerber, NERSC

10:50

7:50

Report schedule and process

Harvey Wasserman, NERSC

11:00

8:00

Q&A and general discussions

11:30

8:30

Breakout session teleconferences

12:30

9:30

Adjourn