Center for Research Computing
Workshop on Scientific Computing

Co-organizers:
Mark Alber, Applied Mathematics, Physics Department and Center for Biocomplexity
Ed Bensman, Center for Research Computing
Jeff Kantor, Interim Director, Center for Research Computing

on

Thursday, April 30, 2009

You may still attend the morning and poster session without registering. Registration for the box lunch and the hands-on workshop ended on April 24th.

8:45 - 9:45 a.m. (105 Jordan Hall)

INTRODUCTIONS

JEFFREY KANTOR, Ph.D., Interim Director, Center for Research Computing
JAROSLAW (JAREK) NABRZYSKI, Ph.D., Incoming Director, Center for Research Computing
University of Notre Dame

KEYNOTE ADDRESS:

PROGRAMMING MODELS FOR HIGH-PERFORMANCE COMPUTING
EWING L. (RUSTY) LUSK, Ph.D.
Distinguished Fellow
Division Director
Mathematics & Comptuer Science Division
Argonne National Laboratories

9:45 - 10:05 a.m. (105 Jordan Hall)

MODELING LIQUID-LIQUID EQUILIBRIUM FOR MIXTURES CONTAINING IONIC LIQUIDS
LUKE SIMONI
2009 CRC Student Award Winner

10:10 - 10:20 a.m.

BREAK

10:25 - 10:45 a.m. (105 Jordan Hall)

USE OF MOLECULAR SIMULATIONS FOR THE DESIGN AND DEVELOPMENT OF HEAT TRANSFER FLUIDS FOR SOLAR THERMAL APPLICATIONS
SAIVENKATARAMAN JAYARAMAN
2009 CRC Student Award Winner

10:50 - 11:10 a.m. (105 Jordan Hall)

STRUCTURES AND DYNAMICS OF GNA: REASONS FOR HIGH THERMODYNAMIC STABILITY
DREW JOHNSON
2009 CRC Student Award Winner

11:15 a.m. - 11:45 a.m. (105 Jordan Hall)

GRID COMPUTING IN EUROPE
JAREK NABRZYSKI, Ph.D.
Director, Center for Research Computing
University of Notre Dame

11:50 a.m. - 12:30 p.m. (105 Jordan Hall)

PANEL DISCUSSION:
Topic and Participants to be announced

12:30 - 2:00 p.m. (133 Jordan Hall)

LUNCH and
POSTER SESSIONS

NWICG 2008-2009 AWARD RECIPIENTS

ANALYZING AND TROUBLESHOOTING JOBS ON GRID USING DATA MINING
DAVID CIESLAK, NITESH CHAWLA, Ph.D. and DOUGLAS THAIN, Ph.D.
Computer Science and Engineering
University of Notre Dame

BIOLOGICAL WATER AT DNA INTERFACES
KRISTINA FURSE, Ph.D. and STEVEN A. CORCELLI, Ph.D.
Department of Chemistry and Biochemistry
University of Notre Dame

COMPUTATIONAL MODELING OF MICROTUBULE DYNAMICS
HOLLY GOODSON, Ph.D. and MARK ALBER, Ph.D.
Department of Chemistry and Biochemistry & Mathematics
University of Notre Dame

HIGH-PERFORMANCE COMPUTATIONAL DEVELOPMENT OF ENANTIOSELECTIVE CATALYSTS
PAUL HELQUIST, Ph.D. and VINCENZO VERDOLINO, Ph.D.
Department of Chemistry and Biochemistry
University of Notre Dame

NEW NUMERICAL APPROACHES AND PARALLEL ALGORITHMS FOR DEVELOPING A 3D THROMBUS SIMULATION TOOLKIT
ZHILIANG XU, Ph.D.
Mathematics
University of Notre Dame

CONFORMATIONAL TRANSITION OF A POLYELECTROLYTE UNDER THE INFLUENCE OF AN AC ELECTRIC FIELD
HONGJUN LIU, Ph.D., ELAINE ZHU, Ph.D. and EDWARD MAGINN, Ph.D.
Chemical and Biomoledular Engineering
University of Notre Dame

2:30 - 4:30 p.m. (177 Fitzpatrick Hall)

HANDS-ON WORKSHOP:

INTRODUCTION TO GRID COMPUTING
DOUGLAS L. THAIN, Ph.D., Computer Science and Engineering
IN-SAENG SUH, Ph.D., Center for Research Computing

 

Registration for LUNCH and HANDS-ON WORKSHOP ended on April 24th.