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Blue Waters Symposium - 2016
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Blue Waters Symposium - 2016
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Sunday
, June 12
Homestead Gallery
6:00pm •
Registration
Landmark
1:00pm •
NCSA Staff Meeting
Monday
, June 13
Fireside Room
7:00am •
Graduate Fellows Meeting & Breakfast
Great Hall
7:00am •
Breakfast
7:00pm •
Dinner - Invited Speaker: Bill Gropp, University of Illinois — The Perils of Success: Meeting the Needs for Advanced Computing
Great Hall Foyer
3:00pm •
Break
Heritage Gallery
6:00pm •
Poster Session & Reception
Heritage I
10:30am •
[Chemistry] Kurt Brorsen (PI: Sharon Hammes-Schiffer): Nuclear-Electronic Orbital Calculations on Molecular Systems
11:00am •
[Chemistry] Thomas Cheatham: Ensembles of MD simulations to assess, validate, improve, and enable force fields for exploring RNA structure and dynamics.
11:30am •
[Chemistry] Thomas Allen: QuantumClassical Path Integral Simulation of Electron Transfer in a Bacterial Photosynthetic Reaction Center
1:30pm •
[Chemistry] Peter Walters (PI: Nancy Makri): Quantum-classical path integral simulations of ferrocene- ferrocenium charge transfer in solution
2:00pm •
[Social Sciences] Yongyang Cai (PI: Lars Hansen): Policy Responses To Climate Change In A Dynamic Stochastic Economy
3:30pm •
[Computer Science] Jon Calhoun: Improving Checkpoint-Restart with Lossy Compression
4:00pm •
[Computer Science] Shantenu Jha: The Power Of Many: Runtime Environment for Executing Dynamic Heterogeneous Workloads
4:30pm •
[Computer Science] Ashok Srinivasan: Simulation-Based Policy Analysis to Reduce Ebola Transmission Risk in Air Travel
Heritage II
10:30am •
[Atmospheric & Climate Science] Larissa Reames: Simulated effects of urban environments on the dynamics of a supercell thunderstorm
11:00am •
[Atmospheric & Climate Science] Jamesina Simpson: Location-Dependent Space Weather Hazards of Societal Significance within the Earth-Ionosphere Waveguide
11:30am •
[Atmospheric & Climate Science] Hui Li: (PI: Ryan Sriver): Analyzing tropical cyclone-climate interactions using the Community Earth System Model (CESM)
1:30pm •
[Atmospheric & Climate Science] Susan Bates (PI: Robert Rauber): High Resolution Earth System Modeling using Blue Waters Capabilities
2:00pm •
[Atmospheric & Climate Science] Junshik Um: Dependence of directional intensity and polarization of light scattered by small ice crystals on microphysical properties: Application to forward-scattering probes, satellite retrieval, and numerical models
2:30pm •
[Atmospheric & Climate Science] Sonia Lasher-Trapp: High-resolution Simulations of Cumulus Entrainment
3:30pm •
[Atmospheric & Climate Science] Alexandra Jones: High Accuracy 3D Radiative Transfer in Cloudy Atmospheres
4:00pm •
[Atmospheric & Climate Science] Robert Trapp: The realization of extreme tornadic storm events under future anthropogenic climate change
4:30pm •
[Atmospheric & Climate Science] Leigh Orf (PI: Robert Wilhelmson): Unlocking the mysteries of the most violent tornadoes
Homestead
8:30am •
Welcome - NSF & NCSA
9:00am •
Invited Speaker: Jim Kurose, Assistant Director of NSF for CISE
10:30am •
[Biosciences] Amir Barati Farimani (PI: Vijay Pande): Insights into Opiate Binding and Activation of µ-Opioid Receptors
11:00am •
[Biosciences] Ken Yokoyama (PI: John Gerlt): Sequence Similarity Networks for the Protein Universe
11:30am •
[Biosciences] Arif Masud: Advanced Computational Methods and Non-Newtonian Blood Models for Blood-artery Interactions in Patient Specific Geometries
1:30pm •
[Biosciences] Justin Drake: Solvation thermodynamics of oligoglycine with respect to chain length and flexibility: implications for aggregation and collapse
2:00pm •
[Biosciences] Eric Jakobsson: Computational Approach To Designing Antibody For Ebola Virus
2:30pm •
[Biosciences] John Grime (PI: Gregory Voth): Dynamic Coarse-Grained Models for Simulations of Large-Scale Biophysical Phenomena
3:30pm •
[Biosciences] Rafael Bernardi (PI: Isaac Cann): Cellulosome Structure Determination: Combining Atomistic Simulations and Experimental Assays
4:00pm •
[Biosciences] Peter Freddolino: Large-scale computational mapping of protein-DNA binding affinity landscapes
4:30pm •
[Biosciences] Jerzy Bernholc: Petascale Quantum Simulations of Nano Systems and Biomolecules
Homestead Gallery
7:00am •
Registration
Homestead Lawn
12:00pm •
Lunch
9:00pm •
Observatory Telescopes & Astronomers - guest viewing
Homestead Lobby
10:00am •
Break
Landmark
10:30am •
[Astronomy & Astrophysics] David Radice (PI: Christian Ott): A Turbulent Dynamo in Rotating Magnetized Core-Collapse Supernovae
11:00am •
[Astronomy & Astrophysics] Brian O'Shea: Simulating the earliest generations of galaxies with Enzo and Blue Waters
11:30am •
[Astronomy & Astrophysics] Michael Norman: Realistic Simulations of the Intergalactic Medium: The Search for Missing Physics
1:30pm •
[Astronomy & Astrophysics] Eric Lentz: Core-collapse supernovae through cosmic time
2:00pm •
[Astronomy & Astrophysics] Yu Feng (PI: Tiziana Di Matteo): First galaxies and Quasars in the BlueTides simulation
2:30pm •
[Astronomy & Astrophysics] Scott Noble: Predicting the Transient Signals from Galactic Centers: Circumbinary Disks and Tidal Disruptions Around Black Holes
3:30pm •
[Biosciences] Alberto Perez (PI:Ken Dill): From sequence to structure to binding using physics and gpus
4:00pm •
[Biosciences] Vincenzo Carnevale (PI: Michael Klein): Sensing the environment: a glimpse into the microscopic mechanisms of pain
4:30pm •
[Biosciences] Jejoong Yoo (PI: Aleksei Aksimentiev): Improved molecular dynamics model suggests a novel mechanism for epigenetic control of chromatin compaction
5:00pm •
PAID IME Meeting
Tuesday
, June 14
Great Hall
7:00am •
Breakfast
7:00pm •
Dinner - Invited Speaker: David Abramson, Director, Centre for Research Computing — The University of Queensland Data Centric Debugging: Scaling to Infinity and Beyond?
Great Hall Foyer
3:00pm •
Break
6:00pm •
Reception
Heritage I
10:30am •
[Geophysics] Joshua Mendez: Experiments and Large-Scale Simulations of the Triboelectric Charging of Volcanic Ash
11:00am •
[Physics] Frank Tsung (PI: Warren Mori): Petascale Particle-in-Cell Simulation of Kinetic Effects in High Energy Density Plasmas
11:30am •
[Physics] Bryan Clark: Computational methods allow the connection of microscopic models to emergent phenomena.
1:30pm •
[Physics] Robert Baker (PI: Jerry Draayer): Innovative ab initio symmetry-adapted no-core shell model for advancing fundamental physics and astrophysics
2:00pm •
[Physics] Steve Gottlieb (PI: Robert Sugar): Lattice QCD on Blue Waters
2:30pm •
[Physics] Samuel Totorica: Nonthermal electron energization from magnetic reconnection in laser-driven plasmas
3:30pm •
Open Time for Collaboration
Heritage II
10:30am •
[Fluid Systems] Michele Rosso (PI: Said Elghobashi): Dispersion of finite size droplets and solid particles in isotropic turbulence
11:00am •
[Fluid Systems] Edwin Mathews: Large-Eddy Simulations of Aero-Optic Distortions
11:30am •
[Fluid Systems] Dhawal Buaria (PI: Pui-kuen Yeung): Particle tracking and turbulent dispersion at high Reynolds number on Blue Waters
1:30pm •
[Materials Science] Joshua Leveillee (PI: Andre Schleife): Exploring the Fundamental Optical Properties of Methyl-Ammonia Lead Iodide Solar Cell Materials: A Computational Study
2:00pm •
[Materials Science] Jim Fonseca (PI: Gerhard Klimeck): Nanoelectronics Modeling on Blue Waters with NEMO5
2:30pm •
[Materials Science] Elif Ertekin: QMCDB: A Living Database to Accelerate Worldwide Development & Usage of Quantum Monte Carlo Methods
3:30pm •
Open Time for Collaboration
Homestead
9:00am •
Invited Speaker: Peter Ungaro, President and CEO, Cray Inc.
10:30am •
[Astronomy & Astrophysics] Thomas Quinn: Evolution of the small galaxy population from high redshift to the present
11:00am •
[Astronomy & Astrophysics] Paul Woodward: The Hydrogen Ingestion Flash in a Low-Z AGB Star of the Early Universe and the Special Challenges it Presents to Computation
11:30am •
[Astronomy & Astrophysics] Nikolai Pogorelov: Modeling Heliophysics and Astrophysics Phenomena with a Multi-Scale Fluid-Kinetic Simulation Suite
1:30pm •
[Geophysics] Lijun Liu: Simulating 4-D Subduction and Mantle Flow beneath the Americas Using Data Assimilation Models
1:55pm •
[Engineering] Brian Thomas: Fluid-Flow and Stress Analysis of Steel Continuous Casting
2:20pm •
[Engineering] Chaitanya Ghodke: LES Study of Suction Side Film Cooling at Different Free Stream Turbulence Levels
2:45pm •
[Engineering] Som Dutta (PI: Marcelo Garcia): Large Eddy Simulation of Sediment Transport and Hydrodynamics at River Bifurcations using a Highly Scalable Spectral Element based CFD Solver
3:30pm •
Open Time for Collaboration
Homestead Lawn
12:00pm •
Lunch
Homestead Lobby
10:00am •
Break
Landmark
8:00am •
PRAC PI Meeting with NSF
10:30am •
[Biosciences] Fizza Mughal (PI: Gustavo Caetano-Anolles): Evolutionary dynamics of the protein structure-function relation in metabolic networks
11:00am •
[Biosciences] Gerrit Botha: Custom genotyping chip for African populations
11:30am •
[Biosciences] Minseung Kim (PI: Ilias Tagkopoulos): DeepPep : Deep proteome inference from peptide profiling
1:30pm •
[Biosciences] Maureen Brooks: Modeling a Mobile Ecosystem: Eddies and Sargassum in the North Atlantic
1:55pm •
[Biosciences] Tandy Warnow: Advancing Genome-scale Phylogenomic Analysis
2:20pm •
[Biosciences] Liudmila Mainzer: Instrumenting Human Variant Calling Workflow on Blue Waters
2:45pm •
[Computer Science] George Slota: Extreme-scale Graph Analysis on Blue Waters
3:30pm •
Open Dialogue with Ed Seidel, NCSA Director
Wednesday
, June 15
Great Hall
7:00am •
Breakfast
Great Hall Foyer
3:00pm •
Break
Heritage I
10:30am •
[Biosciences] Alexander Moffett (PI: Diwakar Shukla): Computational Ancestral Gene Resurrection for investigating activation mechanisms of cellular signaling proteins
11:00am •
[Biosciences] Till Rudack (PI: Klaus Schulten): Molecular dynamics simulations of large macromolecular complexes
11:30am •
[Biosciences] Tyler Earnest (PI: Zaida Luthey-Schulten): Simulating ribosome biogenesis in replicating whole cells
Heritage II
10:30am •
[Fluid Systems] Varvara Zemskova: Modeling the Ocean Energetics Through Horizontal Convection
11:00am •
[Fluid Systems] Sarma Rani: Effects of Forcing Scheme on the Flow and the Relative Motion of Inertial Particles in DNS of Isotropic Turbulence
11:30am •
[Materials Science] Mohammad Heiranian (PI: Narayana Aluru): Molybdenum disulfide (MoS2) as a novel 2D nano-porous membrane for water desalination
Homestead
8:30am •
Invited Speaker: Wen-mei Hwu, University of Illinois — What is driving heterogeneity in HPC?
9:00am •
Invited Speaker: Paul Morin, Director, Polar Geospatial Center
1:30pm •
Tutorial - Blue Waters Topology
2:30pm •
Tutorial - CPU and GPU Performance Programming (part 1)
3:30pm •
Tutorial - CPU and GPU Performance Programming (part 2)
4:00pm •
Tutorial - Parallel IO
Homestead Lawn
12:00pm •
Lunch
Homestead Lobby
10:00am •
Break
Landmark
10:30am •
[Physics] David Ceperly: Hydrogen under Extreme Conditions
11:00am •
[Geophysics] Christine Goulet (PI: Thomas Jordan): Physics-based Strong Ground Motion Simulations Using Blue Waters
11:30am •
[Engineering] Joshua Anderson (PI: Sharon Glotzer): Dissipative particle dynamics simulations of star polymer microdroplets
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Blue Waters Symposium - 2016
America/Los Angeles
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Blue Waters Symposium - 2016
Jun 12
-
15, 2016
Sunday
, June 12
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, June 13
Tuesday
, June 14
Wednesday
, June 15
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Sunriver, OR, United States
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Sunday
, June 12
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, June 13
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, June 14
Wednesday
, June 15
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