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PDF File of the 2018 Blue Waters Annual ReportPDF

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Title:Blue Waters 2018 Annual Report
Author(s):Blue Waters Project
Contributor(s):Jewett, Barbara; Watkins, Catherine; Duensing, Steve; Janeski, Megan; Kramer, William
Subject(s):Blue Waters
High Performance Computing
HPC
Abstract:2018 annual report for the Blue Waters Project
Issue Date:2018
Genre:Report (Grant or Annual)
Book
Type:Text
Image
Table of Contents:

20. Stuart Shapiro, Disks Around Merging Binary Black Holes: From GW150914 to Supermassive Black Holes 22. Eliu Huerta, Multimessenger Astrophysics with the Blue Waters Supercomputer 24. Michael Norman, Realistic Simulations of the Intergalactic Medium: The Need for Enzo-P/Cello 26. Roland Haas, Core-Collapse Supernova Simulations: Simulating the Brightest Objects in the Sky and the Source of Life’s Building Blocks 28. Eliu, Huerta, Deep Learning for Multimessenger Astrophysics: Real-Time Discovery at Scale 30. Tiziana Di Matteo, Tiny Galaxies Host the First Giant Black Holes: Blue Tides Simulation Makes Contact with the First 700 Million Years of Cosmic History 32. Scott Noble, Shedding Light on Inspiraling Binary Black Holes with Magnetized Mini-Disks 34. Alexander Tchekhovskoy, Feeding Black Holes: Tilt with a Twist 36. Paul R. Woodward, 3D Stellar Hydrodynamics of H-Ingestion Flashes and Shell Mergers 38. Yi-Hsin Liu, 3D Nature of Collisionless Magnetic Reconnection at Earth’s Magnetopause 40. Vadim Roytershteyn, Kinetic Simulations of Plasma Turbulence 42. Deborah Levin, Modeling Plasma Flows with Kinetic Approaches using Hybrid CPU-GPU Computing 44. Thomas Quinn, Unified Modeling of Galaxy Populations in Clusters 46. Hsi-Yu Schive, Astrophysics on Graphical Processing Units 48. Saul A. Teukolsky, Petascale Simulations of Merging Black Holes and Neutron Stars 49. Mathew Turk, Chemistry and the Early Universe 50. Brian O’Shea, Simulating Galaxy Formation across Cosmic Time 52. John Hawley, Elucidating the Alignment Mechanism for Black Hole Accretion Disks Subjected to Lense-Thirring Torques 54. Nikolai Pogorelov, Modeling Physical Processes in the Solar Wind and Local Interstellar Medium with a Multiscale Fluid-Kinetic Simulation Suite: Connecting Solar, Heliospheric, and Astrophysical Scales 56. Dinshaw S. Balsara, Simulating Two-Fluid MHD Turbulence and Dynamos in Star-Forming Molecular Clouds 58. Matias Carrasco Kind, The Evolution of the Halo Mass Function in an Accelerated Universe 60. Raluca Ilie, Inductive E Fields in Earth’s Magnetosphere 62. Gabor Toth, Multiscale Space Weather Simulations 64. Nickolay Gnedin, Cosmic Reionization on Computers 66. Philip Hopkins, Using Blue Waters to Understand the Origins of Galaxies and the Nature of Dark Matter 68. Claude-Andre’ Faucher-Giguere, Simulating the Co-Evolution of Galaxies and Their Supermassive Black Holes 72. Leigh Orf, Simulating the Most Devastating Thunderstorms: Big Tornadoes and Big Data 74. Mathew West, Using a 3D Particle-Resolved Aerosol Model to Quantify and Reduce Uncertainties in Aerosol-Atmosphere Interactions 76. Ryan Sriver, Analyzing Tropical Cyclone-Climate Interactions Using the High-Resolution Community Earth System Model 78. Ryan Sriver, The Response of Tropical Cyclone Activity to Global Warming in the Community Earth System Model 80. Ryan Sriver, Atmospheric Rivers: Potential Drought Busters 82. Kaiyu Guan, Forecasting Global Crop Productivity through Integrating Novel Satellite Data and Process-Based Models 84. Sonia Lasher-Trapp, “Breathing” Clouds and Storms: Inflow and Entrainment, Precipitation and Outflow 86. Larry Di Girolamo, The Terra Data Fusion Project 88. Paul Morin, Enhanced Digital Elevation Model for the Arctic 90. Jennifer Corcoran, Image Processing to Build a Multi-Temporal Vegetation Elevation Ecosystem Model of the Great Lakes Basin 92. Donald J. Wuebbles, Particulate Matter Prediction and Source Attribution for U.S. Air Quality Management in a Changing World 94. Sarma Rani, Direct Numerical Simulations of the Relative Motion of High-Inertia Particles in Isotropic Turbulence 96. Lijun Liu, Modeling 4D Earth Evolution: From Continental Cratons to the Yellowstone Supervolcano 98. John Vidale, Simulating Alternative California Earthquake Histories using Rate and State Friction 100. Robert J. Trapp, Extreme Convective Storms under Climate Change 104. Kathryn Huff, Coupled Multiphysics of Advanced Molten-Salt Nuclear Reactors 106. Maciej Balajewicz, Learning Low-Dimensional Feature Dynamics of Turbulent Flows Using Deep Convolutional Recurrent Autoencoders 108. Andre’ Schleife, Electron Dynamics of Ion-Irradiated Graphene 110. Andre’ Schleife, Magneto-Optical Kerr Effect of Anitferromagnetic Materials in External Magnetic Fields 112. Warren Mori, Petascale Simulation of High-Energy-Density(HED) Plasmas 114. Pui-Kuen Yeung, Resolution Effects and Extreme Events in Petascale Turbulence Simulations 116. Ahmed Taha, Advanced Digital Technology for Materials and Manufacturing 118. Brian G. Thomas, Multiphase Turbulent Flow Modeling of Gas Injection into Molten Metal to Minimize Surface Defects in Continuous-Cast Steel 120. Rafael Tinoco Lopez, High Resolution Numerical Simulation of Flow and Sediment Transport through Aquatic Vegetation 122. Ahmed Taha, High-Fidelity Numerical Simulations of the Reacting Flow Field of an Annular Combustor Model of an Aircraft Engine 124. Deborah Levin, Fully Three-Dimensional Kinetic Simulations of Unsteady Shock-Boundary Layer Interactions 126. Caroline Riedl, Mapping Proton Quark Structure-Looking Inside the Proton: How Do Quarks Spin? 128. Mark Neubauer, Enabling Discovery at the Large Hadron Collider through Data-Intensive Computation and Machine Learning 130. Paul Mackenzie, High-Energy Physics on Blue Waters 132. Jean-Pierre Leburton, Epigenetic Identification and Mapping Using Solid-State 2D Nanopores 134. Venkat Raman, Computational Modeling of Rotating Detonation Engines 136. J.P. Draayer, W.M. Tang, Collaborative Research: Advancing First-Principle Symmetry-Guided Nuclear Modleing for Studies of Nucleosynthesis and Fundamental Symmetries in Nature 138. Iwona Jasiuk, Novel Metal-Carbon Materials 140. Paul Fischer, High-Order Methods for Turbulent Transport in Engineering and Geosciences 142. David Ceperley, Properties of Dense Hydrogen 144. Gerhard Klimeck, Leading Future Electronics into the Nano Regime Using Quantum Atomistic Simulations in Nemo5 146. Harley Johnson, Modeling Millions of Atoms and Their Electrons: Tight-Binding Using a Spectral Projection Purification Method 148. Bryan Clark, Simulating the Emergent Phenomena Arising from Strongly Correlated Systems 150. Meelan Choudhari, Pressure Fluctuations Induced by Supersonic Turbulent Boundary Layers 152. Prashant K. Jain, Topologies of Electronic States of Nanocrystalline Materials 154. Sohrab Ismail-Beigi, Understanding Hydrogen Storage in Metal-Organic Frameworks Using Massively Parallel Electronic Structure Calculations 156. Eric Johnsen, Numerical Simulations of the Inertial Collapse of Individual Gas Bubbles near a Rigid Surface 158. Marcelo Garcia, High-Resolution Modeling of Turbulence in Wave Boundary Layers 160. Narayana Aluru, Coarse-Grained Force Field for Ionic Liquids 162. Sumanta Acharya, High-Fidelity Numerical Simulations of Turbine Vane Heat Transfer under Freestream Turbulence 164. Narayana Aluru, Mechanistic Insights into Hydration of Solid Oxides 166. Benjamin Hooberman, Machine Learning for High-Energy Physics: Particle Identification and Regression Using Deep Neural Networks 168. Jerry Bernholc, Petascale Simulations of Graphene Nanoribbon Device Structures 170. Huck Beng Chew, Interfacial Load Transfer Mechanisms in Carbon Nanotube-Polymer Nanocomposites 172. Seid Koric, Improving Virtually Guided Product Certification with Implicit Finite Element Analysis at Scale 174. Daniel Bodony, Running PlasCom2 on Blue Waters with OpenMP Offloading 176. Lucas Wagner, Quantum Magnets and Models 180. Roy H. Campbell, Accelerating Deep Neural Network Training with Model-Aware Network Scheduling 182. Donna Cox, Cinematic Scientific Data Visualization for CADENS 184. William Gropp, Algorithms for Extreme Scale Systems 186. Indranil Gupta, Topology-Aware Distributed Graph Processing for Tightly Coupled Clusters 187. Justin Sirignano, Deep Learning Applications in Engineering and Quantitative Finance 188. Ravishankar Iyer, Holistic Monitoring and Diagnosis of Large-Scale Application Performance Degradation 190. Shantenu Jha, RADICAL-Cybertools: A Building-Blocks Approach to Harnessing the Power of Many 192. Seid Koric, Toward Robust and High-Fidelity Multiphysics Modeling on Petascale Architecture 194. Rakesh Nagi, Parallel Algorithms for Solving Large Multidimensional Assignment Problems with Decomposable Costs 196. Luke Olson, Scaling Elliptic Solvers via Data Redistribution 198. Mathew West, An Efficient Optimization Algorithms for Automatic Tuning of Machine-Learning Models 202. Aleksei Aksimentiev, DNA “Breathing”Captured in All-Atom Detail 204. Aleksei Aksimentiev, Outperforming Nature: Syntetic Enzyme Built from DNA Flips Lipids of Biological Membranes at Record Rates 206. Narayana Aluru, Detection of Amino Acids with Highly Sensitive MoS2 Nanopores: Toward Machine Learning-Based Predictive Models 208. Gustavo Caetano-Anolles, Untangling the Origins of Protein Flexibility and Biological Functions 210. Vincenzo Carnevale, Molecular Dynamics Simulations Unveil the Mechanism of the Sensitivity to Heat of an Ion Channel 212. Thomas Cheatham, Using Large Ensembles of AMBER Molecular Dynamics Simulations to Reproducibly and Reliably Converge the Conformational Distributions of Nucleic Acids 214. Gregory Bauer, Improving NWChem Scalability Using the DataSpaces Framework 216. Chi-Hing Cheng, Structural Basis for Extreme Cold Tolerance in the Eye Lenses of Teleost Fishes 218. Ken Dill, Combining Physics and Supercomputers to Predict Protein Structures from Sequences 220. Mohammed El-Kebir, Algorithms for Reconstructing the Life History of Tumors from Genomics Data 222. Andrew Ferguson, In Silico Vaccine Design through Empirical Fitness Landscapes and Population Dynamics 224. Mattia Gazzola, Modeling and Simulations of Complex Dynamic Musculoskeletal Architectures 226. William Gropp, Constructing Large Evolutionary Trees on Supercomputers 228. So Hirata, Toward Predictive Computational Design of Precision Molecular Optoelectronics 230. Zaida-Luthey-Schulten, An Efficient Hybrid Stochastic-Deterministic Simulation Technique for Living Cells 232. Liudmila Mainzer, Identification of Missing Variants in Alzheimer’s Disease, and the New Standards for Genomic Variant Identification in Large Cohorts 234. Nancy Makri, Quantum-Classical Path Integral Simulation of Electronic Transitions 236. Arif Masud, Blood-Artery Interaction and Simulation-Based Analysis of Aortic Aneurysm 238. Juan R. Perilla, Unveiling the Functions of Virus Capsids through the Computational Microscope 240. Benoit Roux, The Free Energy Landscapes Governing the Function of Complex Biomolecular Machines 242. Diwakar Shukla, Unraveling the Molecular Magic of Witchweed 244. Diwakar Shukla, Molecular Simulations on Blue Waters Aid the Understanding of How Plants Transport Sugars Between Cells 246. Ivan Soltesz, Data-Driven, Biologically Constrained Computational Model of the Hippocampal Network at Scale 248. Ashok Srinivasan, Simulation of Viral Infection Propagation through Air Travel 250. Brad Sutton, HPC-Based High-Resolution Quantitative MRI 252. Ilias Tagkopoulos, Automatic Knowledge Base Construction and Hypothesis Generation: Antibiotic Resistance Mechanisms for Escherichia coli 254. Emad Tajkhorshid, Molecular Mechanism of Lipid and Ion Transport in Phospholipid Scrambling 256. Emad Tajkhorshid, Structure and Function of Bacterial Chemosensory Arrays 258. Greg Voth, Large-Scale Coarse-Grained Simulations of HIV-1: New Therapeutic Targets 260. Tandy Warnow, Improving Accuracy and Scalability for Core Bioinformatics Analyses 264. Enabling Redistricting Reform: A Computational Study of Zoning Optimization 266. Policy Responses to Climate Change 264. Wendy Cho, Enabling Redistricting Reform: A Computational Study of Zoning Optimization 266. Yongyang Cai, Policy Responses to Climate Change 270. Elizabeth, Agee, Quantifying Forest Drought Resistance 272. Maureen Brooks, Multiscale Biophysical Interactions: Inertia, Growth, and Sargassum Seed Populations 274. Iryna Butsky, Simulating the Circumgalactic Medium: The Need for Robust Cosmic Ray Transport 276. Mathew Clement, How the Solar System Survived a Violent Epoch of Dynamical Instability 278. Salme Cook, Sediment Transport in Estuaries: Estimating Bed Shear Stress Distribution from Numerically Modeled Tides in an Energetic Estuary 280. Evan N. Feinberg, Machine Learning Harnesses Molecular Dynamics to Develop Therapeutic Strategies for Alzheimer’s Disease and Chronic Pain 282. Lauren Foster, Scaling Relationships across Modeling Resolutions in Mountain Headwaters: Understanding Climate Change Impacts on Rocky Mountain Hydrology in a Numerical Modeling Context 284. Zachary Goldsmith, Electronic Structure of NiFe Oxyhydroxide Active Sites: Understanding an Effective Oxygen-Evolving Catalyst at a Quantum-Mechanical Level 286. Jennifer Hays, Refining the Conformational Ensembles of Flexible Proteins Using Simulation-Guided Spectroscopy 288. Michael Howard, Designing Materials in Flow: Multiscale Simulations of Complex Fluid Rheology 290. Alexandra Jones, High Accuracy Radiative Transfer in Cloudy Atmospheres 292. Andrew Kirby, High-Fidelity Blade-Resolved Wind Farm Simulations 294. Ethan Kruse, Discovering Hundreds of New Exoplanets with K2 296. Rachel Kurchin, Toward Quantitative Prediction of Defect Tolerance in Semiconductors: Leveraging HPC and Physical Insights to Design Radically Cheaper Energy Materials 298. Rachael Mansbach, Wires Within Wires: A Multiscale Model for Computational Investigation of Bioelectronic Protein Design 300. William Payne, Computer-Aided Formulation Design for Improved Nanoformulation of Anticancer Therapeutics: Using Simulation to Improve the Effectiveness of Cancer Drugs 302. Larissa Reames, Factor Separation Analysis of Urban Impacts on a Simulated Supercell 304. Sherwood Richers, General Relativistic Neutrino Radiation Transport: Understanding the Driving Force Behind Cosmic Explosions 306. Sean Seyler, Beyond Navier-Stokes and Molecular Dynamics: Understanding Biomacromolecular Dynamics through the Development of Multiscale Hybrid and Hydrodynamic Simulation 308. Ronald Stenz, The Impacts of Hydrometeor Centrifuging on Tornado Dynamics: Improving the Realism of Tornado Simulations 310. Erin Teich, Dynamics of Colloidal Glass-Formers 312. Sam Totorica,Magnetic Reconnection in Laser-Driven Plasmas: From Astrophysics to the Laboratory in Silico 314. Varvara Zemskova, Energetic Dynamics of Ocean Basin Model with Rotation, Surface Wind, and Buoyancy Forcing 316. Paul Himes, Genomic Perspectives on the Amphibian Tree of Life
URI:http://hdl.handle.net/2142/110119
Peer Reviewed:Not Peer Reviewed
not peer reviewed
Sponsor:NSF OCI-0725070
NSF ACI-1238993
Date Available in IDEALS:2021-07-08


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