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Blue Waters Symposium - 2016

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7:00am PDT

Graduate Fellows Meeting & Breakfast Fireside Room Breakfast Great Hall Registration Homestead Gallery

8:30am PDT

Welcome - NSF & NCSA Homestead

9:00am PDT

Invited Speaker: Jim Kurose, Assistant Director of NSF for CISE HomesteadJim Kursoe

10:00am PDT

Break Homestead Lobby

10:30am PDT

[Chemistry] Kurt Brorsen (PI: Sharon Hammes-Schiffer): Nuclear-Electronic Orbital Calculations on Molecular Systems Heritage IKurt Brorsen [Atmospheric & Climate Science] Larissa Reames: Simulated effects of urban environments on the dynamics of a supercell thunderstorm Heritage IILarissa Reames [Biosciences] Amir Barati Farimani (PI: Vijay Pande): Insights into Opiate Binding and Activation of µ-Opioid Receptors HomesteadAmir Barati Farimani [Astronomy & Astrophysics] David Radice (PI: Christian Ott): A Turbulent Dynamo in Rotating Magnetized Core-Collapse Supernovae LandmarkDavid Radice

11:00am PDT

[Chemistry] Thomas Cheatham: Ensembles of MD simulations to assess, validate, improve, and enable force fields for exploring RNA structure and dynamics. Heritage IThomas Cheatham [Atmospheric & Climate Science] Jamesina Simpson: Location-Dependent Space Weather Hazards of Societal Significance within the Earth-Ionosphere Waveguide Heritage IIJamesina Simpson [Biosciences] Ken Yokoyama (PI: John Gerlt): Sequence Similarity Networks for the Protein Universe HomesteadKen Yokoyama [Astronomy & Astrophysics] Brian O'Shea: Simulating the earliest generations of galaxies with Enzo and Blue Waters LandmarkBrian O'Shea

11:30am PDT

[Chemistry] Thomas Allen: QuantumClassical Path Integral Simulation of Electron Transfer in a Bacterial Photosynthetic Reaction Center Heritage IThomas Allen [Atmospheric & Climate Science] Hui Li: (PI: Ryan Sriver): Analyzing tropical cyclone-climate interactions using the Community Earth System Model (CESM) Heritage IIHui Li [Biosciences] Arif Masud: Advanced Computational Methods and Non-Newtonian Blood Models for Blood-artery Interactions in Patient Specific Geometries HomesteadArif Masud [Astronomy & Astrophysics] Michael Norman: Realistic Simulations of the Intergalactic Medium: The Search for Missing Physics LandmarkMichael Norman

12:00pm PDT

Lunch Homestead Lawn

1:30pm PDT

[Chemistry] Peter Walters (PI: Nancy Makri): Quantum-classical path integral simulations of ferrocene- ferrocenium charge transfer in solution Heritage IPeter Walters [Atmospheric & Climate Science] Susan Bates (PI: Robert Rauber): High Resolution Earth System Modeling using Blue Waters Capabilities Heritage IISusan Bates [Biosciences] Justin Drake: Solvation thermodynamics of oligoglycine with respect to chain length and flexibility: implications for aggregation and collapse HomesteadJustin Drake [Astronomy & Astrophysics] Eric Lentz: Core-collapse supernovae through cosmic time LandmarkEric Lentz

2:00pm PDT

[Social Sciences] Yongyang Cai (PI: Lars Hansen): Policy Responses To Climate Change In A Dynamic Stochastic Economy Heritage IYongyang Cai [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... Heritage IIJunshik Um [Biosciences] Eric Jakobsson: Computational Approach To Designing Antibody For Ebola Virus HomesteadEric Jakobsson [Astronomy & Astrophysics] Yu Feng (PI: Tiziana Di Matteo): First galaxies and Quasars in the BlueTides simulation LandmarkYu Feng

2:30pm PDT

[Atmospheric & Climate Science] Sonia Lasher-Trapp: High-resolution Simulations of Cumulus Entrainment Heritage IISonia Lasher-Trapp [Biosciences] John Grime (PI: Gregory Voth): Dynamic Coarse-Grained Models for Simulations of Large-Scale Biophysical Phenomena HomesteadJohn Grime [Astronomy & Astrophysics] Scott Noble: Predicting the Transient Signals from Galactic Centers: Circumbinary Disks and Tidal Disruptions Around Black Holes LandmarkScott Noble

3:00pm PDT

Break Great Hall Foyer

3:30pm PDT

[Computer Science] Jon Calhoun: Improving Checkpoint-Restart with Lossy Compression Heritage IJon Calhoun [Atmospheric & Climate Science] Alexandra Jones: High Accuracy 3D Radiative Transfer in Cloudy Atmospheres Heritage IIAlexandra Jones [Biosciences] Rafael Bernardi (PI: Isaac Cann): Cellulosome Structure Determination: Combining Atomistic Simulations and Experimental Assays HomesteadRafael Bernardi [Biosciences] Alberto Perez (PI:Ken Dill): From sequence to structure to binding using physics and gpus LandmarkAlberto Perez

4:00pm PDT

[Computer Science] Shantenu Jha: The Power Of Many: Runtime Environment for Executing Dynamic Heterogeneous Workloads Heritage IShantenu Jha [Atmospheric & Climate Science] Robert Trapp: The realization of extreme tornadic storm events under future anthropogenic climate change Heritage IIRobert Trapp [Biosciences] Peter Freddolino: Large-scale computational mapping of protein-DNA binding affinity landscapes HomesteadPeter Freddolino [Biosciences] Vincenzo Carnevale (PI: Michael Klein): Sensing the environment: a glimpse into the microscopic mechanisms of pain LandmarkVincenzo Carnevale

4:30pm PDT

[Computer Science] Ashok Srinivasan: Simulation-Based Policy Analysis to Reduce Ebola Transmission Risk in Air Travel Heritage IAshok Srinivasan [Atmospheric & Climate Science] Leigh Orf (PI: Robert Wilhelmson): Unlocking the mysteries of the most violent tornadoes Heritage IILeigh Orf [Biosciences] Jerzy Bernholc: Petascale Quantum Simulations of Nano Systems and Biomolecules HomesteadJerzy Bernholc [Biosciences] Jejoong Yoo (PI: Aleksei Aksimentiev): Improved molecular dynamics model suggests a novel mechanism for epigenetic control of chromatin compaction LandmarkJejoong Yoo

5:00pm PDT

PAID IME Meeting Landmark

6:00pm PDT

Poster Session & Reception Heritage Gallery

7:00pm PDT

Dinner - Invited Speaker: Bill Gropp, University of Illinois — The Perils of Success: Meeting the Needs for Advanced Computing Great HallBill Gropp

9:00pm PDT

Observatory Telescopes & Astronomers - guest viewing Homestead Lawn