2015 DOE CSGF Annual Program Review Agenda

Monday, July 27 – Thursday, July 30
Crystal Gateway Marriott Hotel, Arlington, VA

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Updated Wednesday, August 5, 2015
Monday, July 27
11:30am – 6:00pm RegistrationGrand Registration Desk
12:00 – 1:30pm New Fellows Luncheon & OrientationSalon H
1:30 – 4:00pm Introductory HPC SessionSalons A & B
Required for incoming and first-year fellows. Others are also welcome.
  • Judith Hill — Computational Scientist and Liaison Task Lead, Scientific Computing Group/National Center for Computational Sciences, Oak Ridge National Laboratory; DOE CSGF Alumna
  • Jack Deslippe — HPC Consultant, NERSC/Lawrence Berkeley National Laboratory; DOE CSGF Alumnus
  • Hal Finkel — Assistant Computational Scientist, Argonne Leadership Computing Facility, Argonne National Laboratory; DOE CSGF Alumnus
4:30 – 6:00pm Making Fellow & Alumni ConnectionsSalons H & J
All conference attendees who have arrived in D.C. are encouraged to attend.
Tuesday, July 28
7:30am – 6:00pm RegistrationGrand Registration Desk
7:30 – 9:00am Continental BreakfastSalons H & J
8:00 – 9:00am Photo Session: Incoming Fellows (Head Shots & Group Photo)Salon E
9:00 – 9:15am WelcomeSalons A, B & C
Robert Voigt — Krell Institute
9:15 – 9:30am WelcomeSalons A, B & C
Steve Binkley (link is external) — Associate Director of Advanced Scientific Computing Research, Office of Science, U.S. Department of Energy
9:30 – 9:45am WelcomeSalons A, B & C
Douglas P. Wade — Acting Director of Advanced Simulation and Computing, and Institutional Research and Development, Office of Defense Programs, National Nuclear Security Administration, U.S. Department of Energy
9:45 – 10:30am Alumni KeynoteSalons A, B & C
Sommer Gentry — Associate Professor of Mathematics, United States Naval Academy; DOE CSGF Alumna
“Optimization and Organs: Computational Methods for Rationing Transplantation”
10:30 – 10:45am BreakFoyer, Salons A, B & C
10:45 – 11:00am Announcement of 2015 Frederick Howes ScholarSalons A, B & C
David Brown (link is external) — Director, Computational Research Division, Lawrence Berkeley National Laboratory
11:00 – 11:45am Howes Scholar PresentationSalons A, B & C
Devin Matthews — Postdoctoral Researcher, Science of High-Performance Computing Group/Institute for Computational Engineering and Science, University of Texas at Austin; DOE CSGF Alumnus
“Doing Computational Chemistry With Square Pegs and Round Holes”
11:45am – 12:45pm LuncheonSalons H & J
Session ISalons A, B & C
Moderator: Michael Martin — Office of Science, U.S. Department of Energy
1:00 – 1:20pm Heather Mayes — Northwestern University
“Harnessing HPC to Discover Reactions for Renewable Chemicals and Fuels”
1:20 – 1:40pm Jarrod McClean — Harvard University
“Quantum Computers and Quantum Chemistry”
1:40 – 2:00pm Christopher Ivey — Stanford University
“Geometric Volume of Fluid Methods for the Simulation of Two-phase Flow on Unstructured Meshes”
2:00 – 2:20pm Sarah Loos — Carnegie Mellon University
“Verifying Distributed Car and Aircraft Systems With Logic and Refinement”
2:20 – 2:40pm BreakFoyer, Salons A, B & C
Session IISalons A, B & C
Moderator: Michael Martin — Office of Science, U.S. Department of Energy
2:40 – 3:00pm Joshua Vermaas — University of Illinois at Urbana-Champaign
“Exploring Biomass Recalcitrance at the Petascale With Molecular Simulation”
3:00 – 3:20pm Phoebe DeVries — Harvard University
“Geodetically Constrained Models of Viscoelastic Stress Transfer and Earthquake Triggering Along the North Anatolian Fault”
3:20 – 3:40pm Jason Bender — University of Minnesota
“Nitrogen Dissociation in Hypersonic Flows: A Molecular Dynamics Investigation”
3:40 – 4:00pm Omar Hafez — University of California, Davis
“Toward Automating Patient-specific Stress Analysis From Medical Imaging”
4:00 – 5:00pm Break/Poster Set UpSalons H, J & K
4:00 – 5:00pm Fourth-Year/Outgoing Fellow SessionSalon G
5:00 – 7:00pm Fellows' Poster SessionSalons H, J & K
Welcome & Remarks (5:05pm)
Franklin (Lynn) M. Orr (link is external) — Under Secretary for Science and Energy, Office of Science, U.S. Department of Energy
Wednesday, July 29
7:30am – 5:00pm RegistrationGrand Registration Desk
7:30 – 9:00am Continental BreakfastSalons H & J
8:00 – 8:30am Photo Session: Fellow/Alumni Retakes (Head Shots)Salon E
8:30 – 9:00am Photo Session: First-Year Fellows (Group Photo)Salon E
9:00 – 9:15am AnnouncementsSalons A, B & C
CYSE Contest Award Presentation
Bill Cannon — Science Media Manager, Krell Institute
9:15 – 10:00am Invited SpeakerSalons A, B & C
Steve Esser (link is external) — Research Staff Member, Cognitive Computing, IBM Almaden Research Center
“SyNAPSE and Cortical Processor”
10:00 – 10:15am BreakFoyer, Salons A, B & C
Session IIISalons A, B & C
Moderator: Carolyn Lauzon — Office of Science, U.S. Department of Energy
10:15 – 10:35am Michael Rosario — Duke University
“So Much Work, so Little Time: Maximizing Elastic Energy Within the Duration of Muscle Contraction”
10:35 – 10:55am Hansi Singh — University of Washington
“Salty, Saltier, and Saltiest: A Tale of Two Ocean Basins”
10:55 – 11:15am Alexander Rattner — Georgia Institute of Technology
“HPC Simulation of Phase-change Fluid Flows for Energy System Engineering”
11:15 – 11:35am Curtis Lee — Duke University
“A Cut Cell Embedded Boundary Method for Moving Boundary Problems With Ocean Applications”
11:35am – 12:50pm LuncheonSalons H & J
Invited Speaker
Paul Doucette — Executive Director of Government Relations, Battelle
Session IVSalons A, B & C
Moderator: Carolyn Lauzon — Office of Science, U.S. Department of Energy
1:00 – 1:20pm Aurora Pribram-Jones — University of California, Irvine
“An Efficient Formalism for Warm Dense Matter Electronic Structure”
1:20 – 1:40pm Maxwell Hutchinson — University of Chicago
“Experimental Validation of Direct Numerical Simulation of the Single-mode Rayleigh-Taylor Instability”
1:40 – 2:00pm Matthew Zahr — Stanford University
“High-order, Time-dependent PDE-constrained Optimization Using Discontinuous Galerkin Methods”
2:00 – 2:15pm BreakFoyer, Salons A, B & C
2:15 – 4:15pm Supercomputing in a Nutshell (Track I Hands-On HPC Session)Salons F & G
This hands-on session will introduce attendees to the world of supercomputing and will provide access to Titan, the second fastest supercomputer in the world (TOP500 November 2014 list). The workshop will cover the basics of supercomputing including how to access a system, the different components involved and their purpose, how to compile and run parallel code via the batch system, and general best practices. A brief introduction to OpenACC and practical examples for taking advantage of Titan's GPUs will also be included. This session is designed for incoming and first-year fellows. Other non-fellow attendees are also welcome.
  • Adam Simpson — HPC User Support Specialist, Oak Ridge Leadership Computing Facility, Oak Ridge National Laboratory
  • Verónica G. Vergara Larrea — HPC User Support Specialist, Oak Ridge Leadership Computing Facility, Oak Ridge National Laboratory
2:15 – 4:15pm Optimize a Code for Many Core (Track II Hands-On HPC Session)Salons A, B & C
This advanced, hands-on session is designed to teach participants concepts and strategies for optimizing applications on exascale-like HPC architectures. Attendees will learn to profile a short HPC code with Intel and Cray optimization tools to identify hotspots, bottlenecks and areas to parallelize. Participants will then get a chance to optimize the code, with an eye on preparing it to run well on the Intel Xeon Phi Cori system, due to arrive at the National Energy Research Scientific Computing Center (NERSC) in 2016. NERSC access during this session will be limited to pre-authorized second-, third- and fourth-year fellows. Others are welcome as observers.
  • Jack Deslippe — HPC Consultant, NERSC/Lawrence Berkeley National Laboratory; DOE CSGF Alumnus
  • Rebecca Hartman-Baker — HPC Consultant, NERSC/Lawrence Berkeley National Laboratory
3:00 – 4:30pm Poster Set-UpSalons H, J & K
4:30 – 6:00pm DOE Laboratory Poster SessionSalons H, J & K
Welcome & Remarks (4:35pm)
Dimitri Kusnezov — Chief Scientist, National Nuclear Security Administration, U.S. Department of Energy
Thursday, July 30
8:00 – 10:00am RegistrationGrand Registration Desk
8:00 – 9:30am Continental BreakfastSalons H & J
9:30 – 9:40am AnnouncementsSalons A, B & C
Session VSalons A, B & C
Moderator: Adam Boyd — National Nuclear Security Administration, U.S. Department of Energy
9:40 – 10:00am Rogelio Cardona-Rivera — North Carolina State University
“Toward the Holodeck: Computational Models of Narrative and Their Relation to Human Cognition”
10:00 – 10:20am Robert Parrish — Georgia Institute of Technology
“Partitioned Symmetry Adapted Perturbation Theory: A New Tool for Robust Analysis of Noncovalent Interactions”
10:20 – 10:40am Andrew Stine — Northwestern University
“The Known Unknown: Computational Identification of Promising Enzymatic Reactions and Associated Genes”
10:40 – 11:00am Chris Smillie — Massachusetts Institute of Technology
“A Strain Tracking Method Provides Insights Into Fecal Microbiota Transplantation”
11:00 – 11:30am Break & Hotel Check OutFoyer, Salons A, B & C
11:30am – 12:30pm LuncheonSalons H & J
Buffet-style with grab-and-go options for those with afternoon departures.