| Summary: | 2016 annual report for the Blue Waters Project NSF OCI-0725070 NSF ACI-1238993 18. Donna Cox, Visualization for Public Outreach 20. Charles F. Gammie, High-Resolution Simulations of Magnetohydrodynamic Turbulence in Accretion Disks 22. Dinshaw S. Balsara, Comparing CAF and MPI-3 and Simulating Molecular Cloud Turbulence with Two-fluid MHD 24. Michael L. Norman, Realistic Simulations of the Intergalactic Medium: The Search for Missing Physics 26. Scott C. Noble, Predicting the Transient Signals from Galactic Centers 28. Brian O’Shea, Connecting Galaxies in the Early Universe to the Milky Way 30. Christian D. Ott, Magnetars, Black Hole Collisions for LIGO, and a Next Generation Numerical Relativity Code 34. Nikolai Pogorelov, Modeling Heliospheric Phenomena with the Multi-Scale Fluid-Kinetic Simulations Suite: From the Solar Surface to the Local Interstellar Medium 37. Donald Petravick, Deployment of the Dark Energy Survey Workflows 39. Robert Stein, Ab initio Models of Solar Activity 41. Thomas Quinn, Evolution of the Small Galaxy Population from High Redshift to the Present 43. Stuart L. Shapiro, Binary Neutron Stars Mergers: A Jet Engine for Short Gamma-Ray Bursts 45. Tiziana Di Matteo, The Most Massive Galaxies and Black Holes at the Cosmic Dawn of the Universe 48. Eric J. Lentz, Core-Collapse Supernovae Through Cosmic Time 50. Kirit Makwana, Simulating Plasma Turbulence from Driving Scales to Dissipative Scales 52. Paul R. Woodward, 3-D Simulations of i-Process Nucleosynthesis in the Early Universe 58. Larry Di Girolamo, The Terra Data Fusion Project 60. Robert J. Trapp, Petascale Modeling of Convective Storms Under Climate Change and Variability 62. Praveen Kumar, Extreme-Scale Modeling—Understanding Ecohydrologic Dynamics Under Climate Change 64. Paul Morin, Enhanced Digital Elevation Model for the Arctic 66. Jamesina J. Simpson, Location-Specific Space Weather Hazards to Electric Power Grids Calculated on a Global Scale 68. Thomas H. Jordan, Physics-Based Strong Ground Motion Simulations 72. Ryan L. Sriver, Analyzing Tropical Cyclone-Climate Interactions Using the Community Earth System Model(CESM) 74. Junshik Um, Dependence of the Directional Intensity and Polarization of Light Scattered by Small Ice Crytals on their Shape and Size: Applications for Airborne Cloud Probes 76. Patricia M. Gregg, Building a Data Assimilation Framework for Forecasting Volcanic Activity During Periods of Unrest 78. Robert Wilhelmson, Simulating the Most Violent Thunderstorms 80. Matthew West, 3D Particle-Resolved Aerosol Model to Quantify and Reduce Uncertainties in Aerosol-Atmosphere Interactions 82. Marcelo H. Garcia, Large Eddy Simulation of Sediment Transport and Hydrodynamics at River Bifurcations 85. Robert Rauber, High-Resolution Earth System Modeling for International Climate Assessment 88. Sonia Lasher-Trapp, High-Resolution Simulations of Cumulus Entrainment 90. Kaiyu Guan, Forecasting Global Crop Productivity Using Novel Satellite Data and Process-Based Models 94. Jean Paul Allain, Harnessing Petascale Computing to Elucidate Fundamental Mechanisms Driving Nanopatterning of Multicomponent Surfaces by Directed Irradiation Synthesis 96. Bryan Clark, Simulating Strongly Correlated Systems: From Frustrated Magnets to Many-Body Localization 99. Brian G. Thomas, Transient Two-Phase Flow and Electro-Magnetic Field Effect in Steel Continuous Casting 102. David Ceperley, The Liquid-Liquid Transition in Dense Hydrogen 104. Daniel J. Bodony, Reducing Jet Aircraft Noise by Harnessing the Heterogeneous XK Nodes 106. Davide Curreli, Towards Large-Scale Kinetic Simulations of the Plasma-Material Interface 108. Elif Ertekin, GMCDB: A Living Database to Accelerate Worldwide Development and Usage of Quantum Monte Carlo Methods 110. J. P. Draayer, Collaborative Research: Innnovative ab initio Symmetry-Adapted No-Core Shell Model for Advancing Fundamental Physics and Astrophysics 113. Huck Beng Chew, Nanoscale Mechanics of Deformation in High-Capacity Lithium-Ion Batteries 115. Robert Sugar, Lattice QCD on Blue Waters 118. Sharon C. Glotzer, Large-Scale, Long-Time Molecular Dynamics Simulation of Crystal Growth 120. Iwona Jasiuk, Multiscale Modeling of Bone Fracture and Strength 122. Gerhard Klimeck, Nanoscale Electronic Devices with NEMO5 125. Gregory M. Laskowski, Compressible Large Eddy Simulation of a Film-Cooled Stage-One Nozzle at Different Freestream Turbulence Levels 127. David J. Luitz, Numerical Study of the Many-Body Localization Transition 129. Sarma L. Rani, DNS and Stochastic Study of the Relative Motion of High Inertia Particles in Isotropic Turbulence 132. P. K. Yeung, The Complexities of High Reynolds Number Turbulence 134. Andre Schleife, Lattice Screening and Optical Properties of Novel Perovskite Photovoltaic Materials 136. Shankar Subramaniam, Particle-Resolved Direct Numerical Simulations of Fluid-Solid Heat Transfer 138. David Ackerman, Confinement and Orientation Effects in Semi-Flexible Polymer Structures 140. Seid Koric, Validation of Multiphysics Capabilities of the Massively Parallel Finite Element Code Alya 143. Warren B. Mori, Transformative Petascale Particle-in-Cell Simulations of High Energy Density Plasmas 146. Andre Schleife, Non-Adiabatic Ultrafast Electron-Ion Dynamics Near Aluminum Surfaces 148. Deborah A. Levin, Kinetic Modeling and Simulation of Hypersonic, Shock-Boundary Layer Interactions Using Petascale Computing 150. Said Elghobashi, Direct Numerical Simulation of Fully Resolved Droplets in a Turbulent Flow 152. Vincent Le Chenadec, First Principle and Modeling of Turbulent Two-Phase Flows 156. Ravishankar K. Iyer, Efficient, Scalable and Fault Tolerant Genomics Pipeline 159. Jia Deng, Large-Scale Learning for Video Understanding 160. William Gropp, Algorithms for Extreme Scale Systems 162. Rakesh Nagi, Parallel Algorithms for Solving Large Assignment Problems 164. Luke Olson, The Next Generation of Large-Scale Sparse Matrix Computations 166. William H. Sanders, Evaluating Data-Driven Detectors of Electricity Theft in Smart Grids 168. Robert Sisneros, Impact Driven Research: Evaluating and Improving the de facto Standard for Parallel Particle Advection 170. Ahmed Taha, Software Extreme Benchmarking 172. Levent Gurel, Parallelization of the Multilevel Fast Multipole Algorithm(Mlfma) on Heterogeneous CPU-GPU Architectures 174. Jose Schutt-Aine, High-Speed Link Simulation Using X Parameters, Volterra Series and the Latency Insertion Method(LIM) 176. Tao Xie, Hardware Acceleration of Deep Learning 180. Narayana R. Aluru,Large-Scale Simulations of DNA Nanostructures for Drug Delivery and Applications of Novel Synthetic Membranes for Protein/DNA Integration 182. Rommie E. Amaro, Virtual Flu, a Different Kind of Computer Virus 185. Aleksei Aksimentiev, Molecular Dynamics of Self-Assembled DNA Systems 188. Aleksei Aksimentiev, Molecular Mechanism of Sequence-Dependent DNA Looping 191. John A. Gerlt, Sequence Similarity Networks for the Protein “Universe” 192. Don Armstrong, Making Ancestral Trees Using Bayesian Inference to Identify Disease-Causing Genetic Variants 194. Gustavo Caetano-Anolles, Evolutionary Dynamics of the Protein Structure-Function Relation and the Genetic Code 196. Jeffrey Comer, Improving the Accuracy of Drug Permeability Calculations 198. Isaac Cann, Cellulosome Structure Determination Employing Atomistic Simulations Combined to Experimental Assays 201. Thomas Cheatham, Understanding Biomelecular Structure and Dynamics by Overcoming Barriers to Conformational Sampling 204. Ken Dill, Predicting Protein Structures with Physical Molecular Simulations 206. Peter Freddolino, Comprehensive in silico Mapping of DNA-Binding Protein Affinity Landscapes 208. Claudio Grosman, Elucidating the Molecular Basis of Charge Selectivity in Pentameric Ligand-Gated Ion Channels 210. Sharon Hammes-Schiffer, Non-Born-Oppenheimer Effects between Electrons and Protons 212. So Hirata, Ice and Water 215. Eric Jakobsson, Computational Approach to Designing Antibody for Ebola Virus 217. Michael L. Klein, Unveiling Allosteric Pathways in Ion Channels 219. Zaida Luthey-Schulten, Ribosome Biogenesis in Replicating Cells 222. Liudmila Sergeevna Mainzer, Custom Genotyping Chip for African Populations 223. Liudmila Sergeevna Mainzer, Instrumenting Human Variant Calling Workflow at Scale 226. Nancy Makri, Quantum-Classical Path Integral Simulation of Charge Transfer Reactions 228. Vijay Pande, Allosteric Selectivity and Drug Binding Pathway of u-Opioid Receptors 230. Diwakar Shukla, Computational Investigation of Drought-Resistance in Plants 232. Arif Masud, Variational Multiscale Method for Blood Flow Simulation in Patient-Specific Arterial Geometries 235. Brad Sutton, Improving the Resolution of Brain Blood Flow Imaging with Advanced MRI Acquisitions and Computation 238. Gregory A. Voth, Ultra-Coarse-Grained(UCG) Simulations of Viral Phenomena 240. Tandy Warnow, Advancing Genome-Scale Phylogenomic Analysis 242. Ilias Tagkopoulos, Big Data on Small Organisms: Genome-Scale Modeling and Phenotypic Prediction of Escherichia coli 244. Klaus Schulten, The Computational Microscope 247. Klaus Schulten, The Recycling Machinery of the Cell 252. Wendy K. Tam Cho, A Computational Model for Causal Inference via Subset Selection 254. Lars Hansen, Policy Responses to Climate Change in a Dynamic Stochastic Economy 258. Maureen T. Brooks, Modeling Nonlinear Physical-Biological Interactions: Sargassum in the North Atlantic 260. Edwin Matthews, Large Eddy Simulations of Aero-Optic Distortions 262. Jon Calhoun, Improving Checkpoint Restart with Lossy Compression 264. Justin Drake, Solvation Theromodynamics of the Protein Backbone: Implications for Collapse and Aggregation 266. Joshua Mendez, The Triboelectric Charging of Volcanic Materials 268. Ariana Minot, Distributed Algorithms for Power System Monitoring and Control 270. Samuel Totorica, Particle Acceleration in Laser-Driven Magnetic Reconnection 272. Sara Kokkila Schumacher, Reducing the Computational Cost of Coupled Clustery Theory 274. Varvara Zemskova, Energetic Dynamics of a Rotating Horizontal Convection Model of the Southern Ocean with Surface Buoyancy and Wind Forcing 276. Alexandra L. Jones, High Accuracy Radiative Transfer in Cloudy Atmospheres 278. Thomas Allen, Rigorous Quantum-Classical Simulation of Electron Transfer in a Bacterial Photosynthetic Reaction Center 280. George M. Slota, Processing Trillion Edge Graphs in Distributed Memory 282. Larissa Reames, Sensitivity of Simulated Urban-Atmosphere Interactions in Oklahoma City to Urban Parameterization Not Peer Reviewed not peer reviewed Open
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