2015 Agenda

2015 DOE CSGF Annual Program Review

Monday, July 27 – Thursday, July 30

Crystal Gateway Marriott Hotel, Arlington, VA

Updated August 5, 2015 | Download PDF
Time	Event
Monday, July 27
11:30am – 6:00pm	Registration — Grand Registration Desk
12:00 – 1:30pm	New Fellows Luncheon & Orientation — Salon H
1:30 – 4:00pm	Introductory HPC Session — Salons 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 Connections — Salons H & J All conference attendees who have arrived in D.C. are encouraged to attend.
Tuesday, July 28
7:30am – 6:00pm	Registration — Grand Registration Desk
7:30 – 9:00am	Continental Breakfast — Salons H & J
8:00 – 9:00am	Photo Session: Incoming Fellows (Head Shots & Group Photo) — Salon E
9:00 – 9:15am	Welcome — Salons A, B & C Robert Voigt — Krell Institute
9:15 – 9:30am	Welcome — Salons A, B & C Steve Binkley — Associate Director of Advanced Scientific Computing Research, Office of Science, U.S. Department of Energy
9:30 – 9:45am	Welcome — Salons 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 Keynote — Salons 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	Break — Foyer, Salons A, B & C
10:45 – 11:00am	Announcement of 2015 Frederick Howes Scholar — Salons A, B & C David Brown — Director, Computational Research Division, Lawrence Berkeley National Laboratory
11:00 – 11:45am	Howes Scholar Presentation — Salons 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	Luncheon — Salons H & J
Session I — Salons 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	Break — Foyer, Salons A, B & C
Session II — Salons 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 Up — Salons H, J & K
4:00 – 5:00pm	Fourth-Year/Outgoing Fellow Session — Salon G
5:00 – 7:00pm	Fellows' Poster Session — Salons H, J & K Welcome & Remarks (5:05pm) Franklin (Lynn) M. Orr — Under Secretary for Science and Energy, Office of Science, U.S. Department of Energy
Wednesday, July 29
7:30am – 5:00pm	Registration — Grand Registration Desk
7:30 – 9:00am	Continental Breakfast — Salons 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	Announcements — Salons A, B & C CYSE Contest Award Presentation Bill Cannon — Science Media Manager, Krell Institute
9:15 – 10:00am	Invited Speaker — Salons A, B & C Steve Esser — Research Staff Member, Cognitive Computing, IBM Almaden Research Center “SyNAPSE and Cortical Processor”
10:00 – 10:15am	Break — Foyer, Salons A, B & C
Session III — Salons 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	Luncheon — Salons H & J Invited Speaker Paul Doucette — Executive Director of Government Relations, Battelle
Session IV — Salons 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	Break — Foyer, 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-Up — Salons H, J & K
4:30 – 6:00pm	DOE Laboratory Poster Session — Salons 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	Registration — Grand Registration Desk
8:00 – 9:30am	Continental Breakfast — Salons H & J
9:30 – 9:40am	Announcements — Salons A, B & C
Session V — Salons 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 Out — Foyer, Salons A, B & C
11:30am – 12:30pm	Luncheon — Salons H & J Buffet-style with grab-and-go options for those with afternoon departures.

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