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Blue Waters Symposium - 2018
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Great Hall Foyer
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Sunday
, June 3
Homestead Lobby
6:00pm •
Registration
Monday
, June 4
Fireside Room
7:00am •
Graduate Fellows Meeting & Breakfast
Great Hall
7:00am •
Breakfast
7:00pm •
Dinner - Speaker: Thomas Schulthess, Chair for Computational Physics at ETH Zurich, and Director of Swiss National Supercomputing Centre (CSCS) in Lugano
Great Hall Foyer
3:00pm •
Break
Heritage
10:30am •
[Fluid Systems] Sarma Rani: Effects of Forcing Scheme on the Flow and the Relative Motion of Inertial Particles in DNS of Isotropic Turbulence
10:50am •
[Fluid Systems] P.K Yeung: Resolution Effects and Local Averaging in Turbulence Simulations up to 4 Trillion Grid Points
11:10am •
[Fluid Systems] Barbara Zemskova: Energetics of a Model Ocean Basin with Surface Buoyancy and Wind Forcing
11:30am •
[Fluid Systems] Lian Duan: Direct Numerical Simulation of Pressure Fluctuations Induced by Supersonic Turbulent Boundary Layers
1:30pm •
[Engineering] Andrei Rykhlevskii (PI: Kathryn D. Huff): Computational Tools for Advanced Molten Salt Reactors Simulation
1:50pm •
[Engineering] Mattia Gazzola: Modeling and Simulation of Complex Musculoskeletal Architectures
2:10pm •
[Social Sciences] Yongyang Cai: Responses to Climate Change in a Dynamic Stochastic Economy
3:30pm •
Open Time for Collaboration
Heritage Gallery
6:00pm •
Poster Session & Reception
Homestead
8:30am •
Welcome - NCSA
9:00am •
Speaker: Irene Qualters, National Science Foundation
10:30am •
[Biosciences] Alberto Perez (PI: Ken Dill): Bridging Molecular Timescales with MELD and Blue Waters
10:50am •
[Biosciences] Juan R. Perilla: Unveiling the Functions of the HIV-1 and Hepatitis B Virus Capsids through the Computational Microscope
11:10am •
[Biosciences] Ivan Raikov (PI: Ivan Soltesz): Full-scale Biophysical Modeling of Hippocampal Networks during Spatial Navigation
11:30am •
[Biosciences] Jennifer Hays: Refining the Conformational Ensembles of Flexible Proteins using Multimodal Spectroscopic Data
1:30pm •
[Physics] Rachael A. Mansbach: Understanding and Design of Hierarchical Self-assembly of Biocompatible Optoelectronic Nanostructures through a Patchy Minimal Model
1:50pm •
[Physics] Tomas Dytrych (PI: Jerry Draayer): Advancing First-principle Symmetry-guided Nuclear Modeling for Studies of Nucleosynthesis and Fundamental Symmetries in Nature
2:10pm •
[Physics] Bryan Clark: The Wellspring of all Phases on the Quantum Kagome Antiferromagnet
2:30pm •
[Physics] Matthias Grosse Perdekamp (PI: Caroline Riedl): Mapping Proton Quark Structure
3:30pm •
Open Time for Collaboration
Homestead Lawn
12:00pm •
Lunch
Homestead Lobby
7:00am •
Registration
10:00am •
Break
Landmark
10:30am •
[Materials Science] Jerzy Bernholc: Petaflops Simulation and Design of Nanoscale Materials and Devices
10:50am •
[Materials Science] Rachel Kurchin: Towards Quantifying Defect Tolerance in Semiconductors
11:10am •
[Materials Science] Ethan Shapera (PI: Andre Schleife): High Throughput Search for New Plasmonic Materials
11:30am •
[Materials Science] Gerhard Klimeck: Advanced Nanoelectronic Device Design with Atomistic Simulations
1:30pm •
[Astronomy and Astrophysics] Ward Manchester (PI: Gabor Toth): Advanced Space Weather Modeling
1:50pm •
[Astronomy and Astrophysics] Brian O'Shea: Exploring Galactic Environments with Adaptive Mesh Simulations on Blue Waters
2:10pm •
[Astronomy and Astrophysics] Ethan Kruse: Hundreds of New Planets Candidates from Kepler and K2
2:30pm •
[Astronomy and Astrophysics] Nickolay Gnedin: Faintest Galaxies in the JWST Era
3:30pm •
PRAC PI Meeting
Tuesday
, June 5
Fireside Gallery
7:00am •
Registration
Great Hall
7:00am •
Breakfast
Great Hall Foyer
3:00pm •
Break
Heritage
10:30am •
[Atmospheric and Climate Science] Leigh Orf: Understanding the Development and Evolution of Violent Tornadoes in Supercell Thunderstorms
10:50am •
[Atmospheric and Climate Science] Susan Bates (PI: Ryan Sriver): High Resolution Earth System Modeling for International Climate Assessment
11:10am •
[Atmospheric and Climate Science] Donald J. Wuebbles: High Resolution Dynamical Model Analyses and Projections of Climate Change and Air Quality Patterns over the United States
11:30am •
[Atmospheric and Climate Science] Sonia Lasher-Trapp: "Breathing" Clouds and Storms: Inflow and Entrainment, Precipitation and Outflow
1:30pm •
[Physics] Sohrab Ismail-Beigi: Molecular and Electronic Dynamics Using the OpenAtom Software
1:50pm •
[Physics] Lucas Wagner: A Data-centered Approach to Understanding Emergent Quantum Behaviors in Materials
2:10pm •
[Physics] Steven Gottlieb (PI: Paul Mackenzie): High Energy Physics on Blue Waters
2:30pm •
[Physics] Frank Tsung (PI: Warren Mori): Petascale Particle-in-cell Simulations of High Energy Density (HED) Plasmas
3:30pm •
[Engineering] Huck Beng Chew: Utilizing Massively-Parallel Computations to Predict Nanopatterning of Graphene by Hydrogen-Plasma Etching
3:50pm •
[Engineering] Alireza Moradzadeh (PI: Narayana Aluru): Coarse-Grained Force Field Development of Room Temperature Ionic Liquids
4:10pm •
[Engineering] Seong-Mook Cho (PI: Brian Thomas): Multiphysics Modeling of Steel Continuous Casting
4:30pm •
[Astronomy and Astrophysics] Dinshaw Balsara: Two-Fluid Turbulent Dynamo Simulations on the Blue Waters System
Homestead
8:30am •
Speaker: Doug Kothe, Director of Exascale Computing Project Oak Ridge National Laboratory
9:30am •
Speaker: Colleen Heinemann, University of Illinois at Urbana-Champaign
9:45am •
Graduate Fellow Awards
10:30am •
[Biosciences] Mahmoud Moradi: Thermodynamic Characterization of Conformational Landscape in Proton-Coupled Oligopeptide Transporters
10:50am •
[Biosciences] Nicholas Joodi (PI: Ilias Tagkopoulos): Automatic Knowledge Base Construction and Hypothesis Generation: Antibiotic Resistance Mechanisms for Escherichia Coli
11:10am •
[Biosciences] Evan Feinberg: AI for Drug Discovery in Two Stories
11:30am •
[Biosciences] Christopher Maffeo (PI: Aleksei Aksimentiev): Molecular Dynamics of DNA Origami Nanostructures
1:30pm •
[Biosciences] Erin Molloy (PI: Tandy Warnow): TERADACTAL: A Scalable Divide-And-Conquer Approach for Constructing Large Phylogenetic Trees (almost) without Alignments
1:50pm •
[Earth Sciences] Lauren Foster: When Does Uncertainty Matter While Modeling Climate Change in Mountain Headwaters? Contrasting Model Resolution and Complexity Under a Changing Climate in an Alpine Catchment.
2:10pm •
[Earth Sciences] Claire Porter (PI: Paul Morin): ArcticDEM: 2m Topography and Surface Change Detection over the Arctic
2:30pm •
[Earth Sciences] Quan Zhou (PI: Lijun Liu): Western U.S. Volcanism due to Intruding Oceanic Mantle Driven by Ancient Farallon Slabs
3:30pm •
[Earth Sciences] Salme Cook: Estimating Bed Shear Stress Distribution from Numerically Modeled Tides and Wind Waves on Estuarine Mudflats
3:50pm •
[Earth Sciences] Scott Callaghan (PI: Philip Maechling): Integrating Physics-based Earthquake Cycle Simulator Models and High-Resolution Ground Motion Simulations into a Physics-based Probabilistic Seismic Hazard Model
4:10pm •
[Atmospheric and Climate Science] Ryan Sriver: Analyzing Tropical Cyclone-Climate Connections using the Community Earth System Model
4:30pm •
[Visualization Presentation] NCSA: Rob Sisneros, Mark VanMoer
Homestead Lawn
12:00pm •
Lunch
Homestead Lobby
10:00am •
Break
Landmark
10:30am •
[Chemistry] Nancy Makri: Quantum-Classical Path Integral Simulation of Electron Transfer Reactions in Solution
10:50am •
[Chemistry] Zachary K. Goldsmith: Electronic Structure Characterization of Oxygen-Evolving Electrocatalyst NiFe Oxyhydroxide Active Sites
11:10am •
[Chemistry] Alexander Pak (PI: Gregory Voth): Viral Morphogenesis Through the Lens of Large-Scale Coarse-Grained Simulations
11:30am •
[Chemistry] William M. Payne: Computational Methods for the Design of Self-assembled Macromolecular Therapeutic Agents
1:30pm •
[Astronomy and Astrophysics] Tiziana DiMatteo: Massive Galaxies and Black Holes at the Cosmic Dawn
1:50pm •
[Astronomy and Astrophysics] Vadim Roytershteyn: Kinetic Simulations of Astrophysical Plasma Turbulence
2:10pm •
[Astronomy and Astrophysics] Roland Haas (PI: Eliu Huerta): Multimessenger Astronomy at the University of Illinois
2:30pm •
[Astronomy and Astrophysics] Mark Scheel (PI: Saul A. Teukolsky): Computation of Gravitational Waveforms from Compact Binaries
3:30pm •
[Astronomy and Astrophysics] Matthew Clement: Saving the Inner Solar System with an Early Instability
3:50pm •
[Astronomy and Astrophysics] Nikolai Pogorelov: Modeling Heliospheric Phenomena with Multi-Scale Fluid-Kinetic Simulation Suite
4:10pm •
[Astronomy and Astrophysics] Yi-Hsin Liu: Orientation and Stability of Magnetic Reconnection x-line at Earth's Magnetopause
4:30pm •
[Astronomy and Astrophysics] Paul Woodward: A New PPMstar Code for Blue Waters and its Follow-On System
TBA
7:00pm •
Dinner on your own
Wednesday
, June 6
Great Hall
7:00am •
Breakfast
7:00pm •
Dinner - Speaker: Lizanne DeStefano, Director of Center for Education Integrating Science, Mathematics, and Computing (CEISMC) and Professor of Psychology at Georgia Institute of Technology
Great Hall Foyer
3:00pm •
Break
6:00pm •
Reception
Heritage
10:30am •
[Computer Science] Shantenu Jha: More Power to the Many: Scalable Ensemble-based Simulations and Data Analysis
10:50am •
[Computer Science] Luke Olson: Reducing Communication in Sparse Matrix Operations
11:10am •
[Computer Science] Carl Pearson (PI: Wen-Mei Hwu): GPUs and Bigger Nodes
11:30am •
[Computer Science] Juan Galvez (PI: Laxmikant Kale): Topology-aware and load balancing techniques using Charm++, AMPI and related technologies
1:30pm •
[Engineering] Ketan Date (PI: Rakesh Nagi): Parallel Algorithms for Solving Large Assignment Problems
1:50pm •
[Engineering] Sirish Namilae (PI: Ashok Srinivasan): Massively Parallel Simulations to Analyze Viral Infection Propagation Risk in Air Travel
2:10pm •
[Engineering] Erman Guleyrus (PI: Seid Koric): Improving Virtually Guided Product Certification with Implicit Finite Element Analysis at Scale
Homestead
8:30am •
Speakers: Brian O'Shea, Michigan State University; Rommie Amaro, Professor and Shuler Scholar in the Department of Chemistry and Biochemistry at the University of California, San Diego; Susan Bates, National Center for Atmospheric Research
10:30am •
[Biosciences] Thomas Cheatam: Using Ensembles of Molecular Dynamics Simulations to Give Insight into Biomolecular Structure, Dynamics and Function
10:50am •
[Biosciences] Tyler Earnest (PI: Zaida Luthey-Schulten): Multi-scale Simulations of Whole Yeast Cells
11:10am •
[Biosciences] Noah Trebesch (PI: Emad Tajkhorshid): Simulation of Geometrically Accurate, Multibillion Atom Cellular Membrane Structures
11:30am •
[Biosciences] Yingxue Ren (PI:Liudmila Sergeevna Mainzer): Search for Missing Variants in Large Exome Sequencing Projects by Optimization of Analytic Pipelines, in application to Alzheimer's disease
1:30pm •
[Biosciences] Eleonora Gianti (PI: Vincenzo Carnevale): Atomistic Modeling of Biomedical Targets: TRP Channels as Cellular Sensors of Pain
1:50pm •
[Biosciences] Peter Kasson: Ensemble Simulations with Experimental Restraints: Running at Scale
2:10pm •
[Biosciences] Sibo Wang (PI: Kaiyu Guan): Forecasting Crop Productivity with High-Resolution Satellite Data: Scaling Up to the Whole US Corn Belt
2:30pm •
[Biosciences] Rafael Bernardi (PI: Emad Tajkhorshid): Probing Protein Mechanics with Molecular Dynamics Simulations and Single-Molecule Experiments
3:30pm •
Presenting “Seeing the Beginning of Time” and “Grand Journey to Understand the Universe”, CADENS documentary co-productions
Homestead Lawn
12:00pm •
Lunch
Homestead Lobby
10:00am •
Break
Landmark
10:30am •
[Astronomy and Astrophysics] Thomas Quinn: Unified Modeling of Galaxy Populations in Clusters
10:50am •
[Astronomy and Astrophysics] Scott Noble: Predicting the Transient Signals from Galactic Centers: Circumbinary Disks and Tidal Disruptions Around Black Holes
11:10am •
[Astronomy and Astrophysics] Michael Norman: Realistic Simulations of the Intergalactic Medium: The Search for Missing Physics
11:30am •
[Astronomy and Astrophysics] Shea Garrison-Kimmel (PI: Philip Hopkins): Next-generation Galaxy Formation Simulations with FIRE
1:30pm •
[Astronomy and Astrophysics] Iryna Butsky: The Role of Cosmic Ray Transport in Shaping the Simulated Circumgalactic Medium
1:50pm •
[Astronomy and Astrophysics] Philip Moesta (PI: Roland Haas): Magnetic Field Amplification in Binary Neutron Star Merger Remnants
2:10pm •
[Astronomy and Astrophysics] Eric Lentz: TBA
2:30pm •
[Astronomy and Astrophysics] Alexander Tchekhovskoy: GPU-accelerated Simulations of Misaligned Accretion onto Spinning Black Holes
Thursday
, June 7
Great Hall
7:00am •
Breakfast
8:15am •
Mini-tutorial: Machine Learning with Python: Distributed Training and Data Resources on Blue Waters; Aaron Saxton, NCSA
8:45am •
Mini-tutorial: File management with the Globus Online Python interface; Kyle Chard, University of Chicago
9:15am •
Mini-tutorial: Profiling your code: roofline analysis with CrayPat; JaeHyuk Kwack, NCSA
9:45am •
Mini-tutorial: Parallelizing your work with Python PARSL; Kyle Chard, University of Chicago
10:30am •
Mini-tutorial: How to use Jupyter Notebooks; Roland Haas, NCSA
11:00am •
Mini-tutorial: Python Best Practices on Blue Waters; Colin MacLean, NCSA
11:30am •
Mini-tutorial: Containers: Shifter and Singularity; Maxim Belkin, NCSA
Great Hall Foyer
10:15am •
Break
12:00pm •
Lunch
Timezone
Blue Waters Symposium - 2018
America/Los Angeles
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Blue Waters Symposium - 2018
Jun 3
-
7, 2018
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, June 4
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, June 5
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, June 6
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, June 6
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, June 7
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