Table of Contents

• Computational Workflow for Accelerated Molecular Design Using Quantum Chemical Simulations and Deep Learning ModelsAndrew E. Blanchard, Pei Zhang, Debsindhu Bhowmik, Kshitij Mehta, John Gounley, Samuel Temple Reeve, Stephan Irle, Massimiliano Lupo Pasini. 3-19 [doi]
• Self-learning Data Foundation for Scientific AIAnnmary Justine, Sergey Serebryakov, Cong Xu, Aalap Tripathy, Suparna Bhattacharya, Paolo Faraboschi, Martin Foltin. 20-37 [doi]
• Preconditioners for Batched Iterative Linear Solvers on GPUsIsha Aggarwal, Pratik Nayak, Aditya Kashi, Hartwig Anzt. 38-53 [doi]
• Mobility Aware Computation Offloading Model for Edge ComputingNatnael Tefera, Ayalew Belay Habtie. 54-71 [doi]
• Machine Learning for First Principles Calculations of Material Properties for Ferromagnetic MaterialsMarkus Eisenbach 0002, Mariia Karabin, Massimiliano Lupo Pasini, Junqi Yin. 75-86 [doi]
• A Vision for Coupling Operation of US Fusion Facilities with HPC Systems and the Implications for Workflows and Data ManagementSterling Smith, Emily A. Belli, Orso Meneghini, Reuben Budiardja, David Schissel, Jeff Candy, Tom Neiser, Adam Eubanks. 87-100 [doi]
• At-the-Edge Data Processing for Low Latency High Throughput Machine Learning AlgorithmsJack Hirschman, Andrei Kamalov, Razib Obaid, Finn H. O'Shea, Ryan N. Coffee. 101-119 [doi]
• Implementation of a Framework for Deploying AI Inference Engines in FPGAsRyan Herbst, Ryan Coffee, Nathan Fronk, Kukhee Kim, Kuktae Kim, Larry Ruckman, J. J. Russell. 120-134 [doi]
• Calvera: A Platform for the Interpretation and Analysis of Neutron Scattering DataGregory R. Watson, Gregory Cage, Jon Fortney, Garrett E. Granroth, Harry Hughes, Thomas Maier, Marshall McDonnell, Anibal Ramirez-Cuesta, Robert Smith, Sergey Yakubov, Wenduo Zhou. 137-154 [doi]
• Virtual Infrastructure Twins: Software Testing Platforms for Computing-Instrument EcosystemsNageswara S. V. Rao, Anees Al-Najjar, Helia Zandi, Ramanan Sankaran, Susan E. Hicks, Kevin Roccapriore, Debangshu Mukherjee. 155-172 [doi]
• The INTERSECT Open Federated Architecture for the Laboratory of the FutureChristian Engelmann, Olga A. Kuchar, Swen Boehm, Michael J. Brim, Thomas J. Naughton, Suhas Somnath, Scott Atchley, Jack Lange, Ben Mintz, Elke Arenholz. 173-190 [doi]
• Real-Time Edge Processing During Data AcquisitionMax Rietmann, Praveen Nakshatrala, Jonathan Lefman, Geetika Gupta. 191-205 [doi]
• Towards a Software Development Framework for Interconnected Science EcosystemsAddi Malviya-Thakur, Seth Hitefield, Marshall McDonnell, Matthew Wolf, Richard Archibald, Lance Drane, Kevin Roccapriore, Maxim A. Ziatdinov, Jesse McGaha, Robert Smith, John Hetrick, Mark Abraham, Sergey Yakubov, Gregory R. Watson, Ben Chance, Clara Nguyen, Matthew Baker, J. Robert Michael, Elke Arenholz, Ben Mintz. 206-224 [doi]
• Adrastea: An Efficient FPGA Design Environment for Heterogeneous Scientific Computing and Machine LearningAaron R. Young, Narasinga Rao Miniskar, Frank Liu, Willem Blokland, Jeffrey S. Vetter. 227-243 [doi]
• Toward an Autonomous Workflow for Single Crystal Neutron DiffractionJunqi Yin, Guannan Zhang, Huibo Cao, Sajal Dash, Bryan C. Chakoumakos, Feiyi Wang. 244-256 [doi]
• Industrial Experience Deploying Heterogeneous Platforms for Use in Multi-modal Power Systems Design WorkflowsAndrew Gallo, Ian Claydon, Eric Tucker, Richard Arthur. 257-273 [doi]
• Self-describing Digital Assets and Their Applications in an Integrated Science and Engineering EcosystemDinesh Verma, John Overton, Bill Wright, Joshua Purcell, Sathya Santhar, Anindita Das, Mathews Thomas, Sharath Prasad. 274-287 [doi]
• Simulation Workflows in Minutes, at Scale for Next-Generation HPCAllan Grosvenor, Anton Zemlyansky, Dwyer Deighan, Dustin Sysko. 288-300 [doi]
• Machine Learning Approaches to High Throughput PhenotypingMorgan Gao. 303-316 [doi]
• SMC 2022 Data Challenge: Summit Spelunkers Solution for Challenge 2Thomas Fillers, John Maddox, Kevin Wang, Trevor Taylor, Reuben Budiardja, Verónica G. Melesse Vergara. 317-328 [doi]
• Usage Pattern Analysis for the Summit Login NodesBrett Eiffert, Chen Zhang. 329-344 [doi]
• Finding Hidden Patterns in High Resolution Wind Flow Model SimulationsTianle Wang, Bigeng Wang, Elisha Siddiqui Matekole, Mohammad Atif. 345-365 [doi]
• Investigating Relationships in Environmental and Community Health: Correlations of Environment, Urban Morphology, and Socio-economic Factors in the Los Angeles Metropolitan Statistical AreaEyrin Kim. 366-383 [doi]
• Patterns and Predictions: Generative Adversarial Networks for Neighborhood GenerationAbigail R. Wheelis, Levi T. Sweet-Breu, Melissa R. Allen-Dumas. 384-397 [doi]