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Blue Waters Symposium - 2018
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Will
University of Nebraska Medical Center
Graduate Student
Omaha, NE
Monday
, June 4
7:00am PDT
Graduate Fellows Meeting & Breakfast
Fireside Room
Registration
Homestead Lobby
8:30am PDT
Welcome - NCSA
Homestead
9:00am PDT
Speaker: Irene Qualters, National Science Foundation
Homestead
10:00am PDT
Break
Homestead Lobby
10:30am PDT
[Biosciences] Alberto Perez (PI: Ken Dill): Bridging Molecular Timescales with MELD and Blue Waters
Homestead
10:50am PDT
[Biosciences] Juan R. Perilla: Unveiling the Functions of the HIV-1 and Hepatitis B Virus Capsids through the Computational Microscope
Homestead
11:10am PDT
[Biosciences] Ivan Raikov (PI: Ivan Soltesz): Full-scale Biophysical Modeling of Hippocampal Networks during Spatial Navigation
Homestead
11:30am PDT
[Biosciences] Jennifer Hays: Refining the Conformational Ensembles of Flexible Proteins using Multimodal Spectroscopic Data
Homestead
12:00pm PDT
Lunch
Homestead Lawn
1:30pm PDT
[Physics] Rachael A. Mansbach: Understanding and Design of Hierarchical Self-assembly of Biocompatible Optoelectronic Nanostructures through a Patchy Minimal Model
Homestead
1:50pm PDT
[Physics] Tomas Dytrych (PI: Jerry Draayer): Advancing First-principle Symmetry-guided Nuclear Modeling for Studies of Nucleosynthesis and Fundamental Symmetries in Nature
Homestead
6:00pm PDT
Poster Session & Reception
Heritage Gallery
7:00pm PDT
Dinner - Speaker: Thomas Schulthess, Chair for Computational Physics at ETH Zurich, and Director of Swiss National Supercomputing Centre (CSCS) in Lugano
Great Hall
Tuesday
, June 5
7:00am PDT
Breakfast
Great Hall
8:30am PDT
Speaker: Doug Kothe, Director of Exascale Computing Project Oak Ridge National Laboratory
Homestead
9:30am PDT
Speaker: Colleen Heinemann, University of Illinois at Urbana-Champaign
Homestead
9:45am PDT
Graduate Fellow Awards
Homestead
10:00am PDT
Break
Homestead Lobby
10:30am PDT
[Chemistry] Nancy Makri: Quantum-Classical Path Integral Simulation of Electron Transfer Reactions in Solution
Landmark
10:50am PDT
[Chemistry] Zachary K. Goldsmith: Electronic Structure Characterization of Oxygen-Evolving Electrocatalyst NiFe Oxyhydroxide Active Sites
Landmark
11:10am PDT
[Chemistry] Alexander Pak (PI: Gregory Voth): Viral Morphogenesis Through the Lens of Large-Scale Coarse-Grained Simulations
Landmark
11:30am PDT
[Chemistry] William M. Payne: Computational Methods for the Design of Self-assembled Macromolecular Therapeutic Agents
Landmark
12:00pm PDT
Lunch
Homestead Lawn
7:00pm PDT
Dinner on your own
TBA
Wednesday
, June 6
7:00am PDT
Breakfast
Great Hall
8:30am PDT
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...
Homestead
10:00am PDT
Break
Homestead Lobby
10:30am PDT
[Biosciences] Thomas Cheatam: Using Ensembles of Molecular Dynamics Simulations to Give Insight into Biomolecular Structure, Dynamics and Function
Homestead
10:50am PDT
[Biosciences] Tyler Earnest (PI: Zaida Luthey-Schulten): Multi-scale Simulations of Whole Yeast Cells
Homestead
11:10am PDT
[Biosciences] Noah Trebesch (PI: Emad Tajkhorshid): Simulation of Geometrically Accurate, Multibillion Atom Cellular Membrane Structures
Homestead
11:30am PDT
[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
Homestead
12:00pm PDT
Lunch
Homestead Lawn
1:30pm PDT
[Biosciences] Eleonora Gianti (PI: Vincenzo Carnevale): Atomistic Modeling of Biomedical Targets: TRP Channels as Cellular Sensors of Pain
Homestead
1:50pm PDT
[Biosciences] Peter Kasson: Ensemble Simulations with Experimental Restraints: Running at Scale
Homestead
2:10pm PDT
[Biosciences] Sibo Wang (PI: Kaiyu Guan): Forecasting Crop Productivity with High-Resolution Satellite Data: Scaling Up to the Whole US Corn Belt
Homestead
2:30pm PDT
[Biosciences] Rafael Bernardi (PI: Emad Tajkhorshid): Probing Protein Mechanics with Molecular Dynamics Simulations and Single-Molecule Experiments
Homestead
3:00pm PDT
Break
Great Hall Foyer
6:00pm PDT
Reception
Great Hall Foyer
7:00pm PDT
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
Thursday
, June 7
7:00am PDT
Breakfast
Great Hall
8:15am PDT
Mini-tutorial: Machine Learning with Python: Distributed Training and Data Resources on Blue Waters; Aaron Saxton, NCSA
Great Hall
8:45am PDT
Mini-tutorial: File management with the Globus Online Python interface; Kyle Chard, University of Chicago
Great Hall
9:15am PDT
Mini-tutorial: Profiling your code: roofline analysis with CrayPat; JaeHyuk Kwack, NCSA
Great Hall
9:45am PDT
Mini-tutorial: Parallelizing your work with Python PARSL; Kyle Chard, University of Chicago
Great Hall
10:15am PDT
Break
Great Hall Foyer
10:30am PDT
Mini-tutorial: How to use Jupyter Notebooks; Roland Haas, NCSA
Great Hall
11:00am PDT
Mini-tutorial: Python Best Practices on Blue Waters; Colin MacLean, NCSA
Great Hall
11:30am PDT
Mini-tutorial: Containers: Shifter and Singularity; Maxim Belkin, NCSA
Great Hall
12:00pm PDT
Lunch
Great Hall Foyer
Timezone
Blue Waters Symposium - 2018
America/Los Angeles
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Blue Waters Symposium - 2018
Jun 3
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