| Summary: | 2015 annual report for the Blue Waters Project. NSF OCI-0725070 NSF ACI-1238993 2015 Table of Contents 16. Tiziana Di Matteo, The First Galaxies and Quasars in the Blue Tides Cosmological Simulation 18. Homayoun Karimabadi, Enabling Breakthrough Kinetic Simulations of the Magnetosphere 22. Eric J. Lentz, Core-Collapse Supernovae through Cosmic Time 24. Kirit Makwana, Simulating Magnetized Plasma Turbulence from Macro to Micro Scales 26. Brian W. O’Shea, Exploring the First Generations of Galaxies 28. Nikolai Pogorelov, Modeling Heliophysics Phenomena with a Multi-Scale Fluid-Kinetic Simulation Suite 30. Stuart L. Shapiro, Relativistic Jet Formation in Black Hole-Neutron Star Mergers 33. Robert Stein, Ab-Initio Models of Solar Activity 34. Paul Woodward, 3-D Simulations of I-Process Nucleosynthesis in the Early Universe 36. Adam Burrows, Three-Dimensional Core-Collapse Supernova Simulations 40. Larry Di Girolamo, Global Observations of Cloud Microphysics through Terra Data Fusion 42. Marcelo H. Garcia, Large Eddy Simulation of Sediment Transport and Hydrodynamics at River Bifurcations 44. Thomas H. Jordan, Earthquake System Science Research 46. Sonia Lasher-Trapp, Simulating Cumulus Extrainment: A Resolution Problem, or Conceptual? 48. Patrick M. Reed, Design and Management of Satellite Assets to Advance Space-Based Earth Science 50. Jamesina J. Simpson, Location-Specific Space Weather Hazards to Electric Power Grids Calculated on a Global Scale 52. Ryan L. Sriver, Scaling the CESM to Ultra-High Resolutions for Analyzing Tropical Cyclone-Climate Feedbacks 54. Robert J. Trapp, Petascale Modeling of Convective Storms under Climate Change and Variability 56. Junshik Um, Applicability of Geometric Optics Method for Calculations of Single-Scattering Properties of Atmospheric Ice Crystals 58. Renata M. Wentzcovitch, Computational Mineral Physics 61. Donald J. Wuebbles, Using Petascale Computing Capabilities to Address Climate Change Uncertainties 64. Robert Wilhelmson, Long-Track EF5 Tornado Simulation 68. Aleksei Aksimentiev, Ionic Conductivity, Structural Deformation, and Programmable Anisotropy of DNA Origami in an Electric Field 70. Narayana R. Aluru, Large-Scale Simulations of Biological-Synthetic Interface Materials for Sensing Applications 72. Dinshaw S. Balsara,Comparing CAF and MPI-3 and Simulating Molecular Cloud Turbulence with Two-Fluid MHD 74. Daniel J. Bodony, Reducing Jet Aircraft Noise by Harnessing the Heterogeneous XK Nodes on Blue Waters 76. David M. Ceperley, Hydrogen under Extreme Conditions 78. Bryan K. Clark, Strongly Correlated Systems through Computation: From Bad Metals to Perfect Insulators 80. J. P. Draayer, Next-Generation Ab Initio Symmetry-Adapted No-Core Shell Model and Its Impact on Nucleosynthesis 82. Said Elghobashi, Direct Simulation of Dispersed Liquid Droplets in Isotropic Turbulence 84. Elif Ertekin, Simulating Thermal Transport in Nanostructures from the Ballistic to the Diffusive Regime 86. Paul Fischer, High-Order Methods for Turbulent Transport in Engineering and Geosciences 88. Sharon C. Glotzer, Many-GPU Simulations for Soft Matter Design 90. Athol Kemball, New Techniques for Pixel-Level Fidelity Assessment in Interferometric Images 92. Gerhard Klimeck, Atomistic Modeling of Future Nanoscale Electronic Devices with NEMO5 94. Seid Koric, Sparce Matrix Factorization in Solid Mechanics and Geophysics on CPUs and GPUs 96. Sanjiva K. Lele, Shock-Induced Turbulent Mixing 98. Deborah A. Levin, High-Performance Computing of Hypersonic, Shock-Shock Interactions using Kinetic, Particle Approaches 100. Warren B. Mori, Particle-in-Cell Simulations of Kinetic Effects in HED Plasmas 102. Martin Ostoja-Starzewski, Mechanics of Random and Fractal Media 104. Mark Scheel, High-Resolution 3D Simulations of Core-Collapse Supernovae 106. Thomas Quinn, Evolution of the Small Galaxy Population from High Redshift to Present 108. Andre Schleife, Theoretical Spectroscopy for Transparent Conducting Oxides 110. P. K. Yeung, Complexities of High-Reynolds-Number Turbulence 112. Brian G. Thomas, Dynamics of Argon Bubbles in Steel Continuous Casting with a Magnetic Field 115. Robert L. Sugar, Lattice QCD on Blue Waters 118. Stan Woosley, Modeling Type Ia Supernova Progenitors 122. Ahmed Taha, Software Extreme Benchmarking 124. William Gropp, Algorithms for Extreme-Scale Systems 128. Rommie E. Amaro, Virtual Flu, A Different Kind of Computer Virus 130. Gustavo Caetano-Annoles, Mining the Evolutionary Dynamics of Protein Loop Structure and its Role in Biological Functions 132. Thomas E. Cheatham, III, Convergence and Reproducibility in Simulations of Nucleic Acids 134. Nilufer Ertekin-Taner, Epistatic Interactions for Brain Expression GWAS in Alzheimer’s Disease 136. John A. Gerlt, Sequence Similarity Networks for the Protein “Universe” 138. Claudio Grosman, Elucidating the Molecular Basis of Charge Selectivity in Pentameric Ligand-Gated Ion Channels 140. Sharon Hammes-Schiffer, Non-Born-Oppenheimer Effects between Electrons and Protons 142. So Hirata, Ice and Water 144. Eric Jakobsson, Effect of Confinement on Protein Dynamic and Structure 146. Iwona Jasiuk, Multiscale Modeling of Bone Fracture and Strength 148. Curtis L. Johnson, High-Resolution MR Elastography of the Brain in a Clinical Setting 150. Fetemeh Khalili-Arghi, Functional Mechanism of the Bacterial Efflux Pump 152. Michael L. Klein, Functional Mechanics of Voltage Gated Like Ion Channels 154. Zaida Luthey-Schulten, Simulating Ribosome Biogenesis in Whole Cells 157. Peter Kasson, Simulating Influenza Hemagglutinin Membrane Assemblies 158. L. S. Mainzer, Instrumenting Human Variant Calling Workflow 160. Nancy Makri, Quantum-Classial Path Integral Simulation of Proton Transfer in Solution 162. Arif Masud, Blood-Artery Interactions in Patient-Specific Geometries 164. Vijay S. Pande, Understanding P53, a Protein “Shape Shifter” Responsible for Many Cancer Tumors 166. Chad M. Rienstra, Protein Structure Determination and Refinement From Raw NMR Data 168. Benoit Roux, Molecular Details of the Luminal Exit of Calcium Ions in the Calcium Pump of the Sarco/Endoplasmic Reticulum 170. Klaus Schulten, The Computational Microscope 172. Emad Tajkhorshid, Characterizing Structural Transitions of Membrane Transport Proteins at Atomic Detail 174. Gregory A. Voth, Ultra-Coarse-Grained Biomolecular Simulations 178. Lars Hansen, Policy Response to Climate Change in a Dynamic Stochastic Economy 180. Scott Althaus, Computational Strategies for Applying Quality Scoring and Error Modeling Strategies to Extreme-Scale Text Archives 182. Shaowen Wang, An Extreme-Scale Computational Approach to Redistricting Optimization 188. Kenza Arraki, Examining the Evolving Properties of Dwarf Galaxies Using the ART Code 190. Mathew Bedford, Energy Balance Between Thermal and Nonthermal Ions in the Solar Wind Flow 192. Jon Calhoun, Understanding the Impact of Silent Data Corruption on HPC Applications 194. Alexandra L. Jones, High Accuracy Radiative Transfer in Cloudy Atmospheres 196. Sara Kokkila Schumacher, Development of a GPU Accelerated Algorithm to Study the Absorption of Light by the Photoactive Yellow Protein 198. Edwin Mathews, High Reynolds Number Computational Aero-Optics 200. Ariana Minot, Distributed State Estimation Algorithms for Electric Power Systems 202. George M. Slota, Massively Parallel Graph Analytics 204. Derek Vigil-Fowler, Reduced Communication and Improved Scaling of the Calculation of Dielectric Screening in Nanostructures, Molecules, and Solids 206. Varvara Zemskova, Sensitivity of Available Potential Energy to Changes in Surface Forcing in the Southern Ocean not peer reviewed Open
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