Workshop Agenda

Tuesday, November 8

Workshop participants arrive, lodging at the Inn at Virginia Tech or the Holiday Inn

7:00-9:00 pm Social event for those arriving in time (The Continental Divide Bar in The Inn at Virginia Tech)


Wednesday, November 9  (Squires Student Center, Room 232)

08:30-09:00  Gathering and opening remarks by the organizers (D. Crawford, P. Knowles, and C. Skylaris)

09:00-10:30  10 minute talks by workshop participants*

10:30-11:00  Coffee break (The Jamestown Room, Squires Student Center)

11:00-12:00 10 minute talks by workshop participants*

12:00-13:30  Lunch (The Williamsburg Room, Squires Student Center)

13:30-15:30 10 minute talks by workshop participants*

15:30-16:00  Coffee break (The Jamestown Room, Squires Student Center)

16:00-17:00  Overview of current and emerging high-performance hardware (R. Harrison)

17:00-17:15  Brief wrap-up and preview of Thursday's activities (Crawford)

18:30-20:30  Dinner (622 North Restaurant)


Thursday, November 10 (Squires Student Center, Room 232)

08:30-09:30  Special-topic discussion: Parallel computing and quantum chemistry

09:30-10:30 Panel discussion: Domain-Specific Languages (P. Kelly, J. Ramanujam, E. Deumens)

10:30-11:00  Coffee and tea break (The Jamestown Room, Squires Student Center)

11:00-12:00  Special-topic discussion: GPU computing 

12:00-13:30 Lunch (On your own)

13:30-14:30 Special-topic discussion: Matrix/Tensor algorithms

14:30-15:00 Coffee and tea break (The Jamestown Room, Squires Student Center)

15:00-16:00 Special-topic discussion: Setting or improving data-structure/code standards

16:00-16:30 Discussion of potential NSF/EPSRC-funded collaborations

16:30-17:00 Closing

18:30-20:30 Dinner (On your own)


Friday, November 11

For those participants staying beyond the scheduled end of the workshop, Prof. John Tully of Yale University will be giving a lecture in the Virginia Tech Department of Chemistry at 2:30pm on Friday.  In addition, hiking and related activities can be arranged for those interested.  Please contact Daniel Crawford for more information.


*Short talks should provide the other participants with an overview of the speaker's software activities, including scientific capabilities, user- and developer-community sizes, language(s), infrastructure, development platform(s), software management methods, etc.  In addition, speakers should note areas where their own programs might benefit from shared code.

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