Efficient Algorithms for Monte Carlo Particle Transport on AI Accelerator Hardware

Authors: Tramm, John, Allen, Bryce, Yoshii, Kazutomo, Siegel, Andrew, Wilson, Leighton

Subject Terms: Computer Science - Distributed, Parallel, and Cluster Computing, Computer Science - Performance, D.1.3, J.2

Access URL: http://arxiv.org/abs/2311.01739

A Codesign Framework for Online Data Analysis and Reduction

Authors: Mehta, Kshitij, Allen, Bryce, Wolf, Matthew, Logan, Jeremy, Suchyta, Eric, Choi, Jong, Takahashi, Keichi, Yakushin, Igor, Munson, Todd, Foster, Ian, Klasky, Scott

Source: 2019 IEEE/ACM Workflows in Support of Large-Scale Science (WORKS) Workflows in Support of Large-Scale Science (WORKS), 2019 IEEE/ACM. :11-20 Nov, 2019

Relation: 2019 IEEE/ACM Workflows in Support of Large-Scale Science (WORKS)

Coupling Exascale Multiphysics Applications: Methods and Lessons Learned

Authors: Choi, Jong Youl, Chang, Choong-Seock, Dominski, Julien, Klasky, Scott, Merlo, Gabriele, Suchyta, Eric, Ainsworth, Mark, Allen, Bryce, Cappello, Franck, Churchill, Michael, Davis, Philip, Di, Sheng, Eisenhauer, Greg, Ethier, Stephane, Foster, Ian, Geveci, Berk, Guo, Hanqi, Huck, Kevin, Jenko, Frank, Kim, Mark, Kress, James, Ku, Seung-Hoe, Liu, Qing, Logan, Jeremy, Malony, Allen, Mehta, Kshitij, Moreland, Kenneth, Munson, Todd, Parashar, Manish, Peterka, Tom, Podhorszki, Norbert, Pugmire, Dave, Tugluk, Ozan, Wang, Ruonan, Whitney, Ben, Wolf, Matthew, Wood, Chad

Source: 2018 IEEE 14th International Conference on e-Science (e-Science) E-SCIENCE e-Science (e-Science), 2018 IEEE 14th International Conference on. :442-452 Oct, 2018

Relation: 2018 IEEE 14th International Conference on e-Science (e-Science)

Efficient algorithms for Monte Carlo particle transport on AI accelerator hardware

Authors: Tramm, John, Allen, Bryce, Yoshii, Kazutomo, Siegel, Andrew, Wilson, Leighton

Source: In Computer Physics Communications May 2024 298

Best Practices for Alchemical Free Energy Calculations

Authors: Mey, Antonia S. J. S., Allen, Bryce, Macdonald, Hannah E. Bruce, Chodera, John D., Kuhn, Maximilian, Michel, Julien, Mobley, David L., Naden, Levi N., Prasad, Samarjeet, Rizzi, Andrea, Scheen, Jenke, Shirts, Michael R., Tresadern, Gary, Xu, Huafeng

Subject Terms: Quantitative Biology - Biomolecules, Statistics - Computation

Access URL: http://arxiv.org/abs/2008.03067

Targeted Protein Degradation: Advances, Challenges, and Prospects for Computational Methods

Authors: Mostofian, Barmak, Martin, Holli-Joi, Razavi, Asghar, Patel, Shivam, Allen, Bryce, Sherman, Woody, Izaguirre, Jesus A.

Source: JOURNAL OF CHEMICAL INFORMATION AND MODELING. 63(17):5408-5432

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCRN632592632&indx=1&recIds=ETOCRN632592632

Sagittal mechanical ratio: A novel technique to define sagittal alignment of the femur independent of distal anatomic landmarks

Authors: Allen, Bryce C., Welling, Benjamin D., Villamaria, Luke J., Munoz-Maldonado, Yolanda

Source: Knee. 40:192-200

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100180231179.0x000001&indx=1&recIds=ETOCvdc_100180231179.0x000001

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Kinome-Wide Virtual Screening by Multi-Task Deep Learning.

Authors: Hu, Jiaming^1,2 (AUTHOR) allenbk4@gmail.com, Allen, Bryce K.^2,3 (AUTHOR) v.stathias@med.miami.edu, Stathias, Vasileios² (AUTHOR), Ayad, Nagi G.^4,5,6 (AUTHOR) na853@georgetown.edu, Schürer, Stephan C.^2,3,4,6 (AUTHOR) sschurer@med.miami.edu

Source: International Journal of Molecular Sciences. Mar2024, Vol. 25 Issue 5, p2538. 20p.

Subject Terms: *DEEP learning, *ARTIFICIAL neural networks, *MACHINE learning, *DRUG discovery, *SMALL molecules, *DRUG target

Precise Binding Free Energy Calculations for Multiple Molecules Using an Optimal Measurement Network of Pairwise Differences

Authors: Li, Pengfei, Li, Zhijie, Wang, Yu, Dou, Huaixia, Radak, Brian K., Allen, Bryce K., Sherman, Woody, Xu, Huafeng

Source: JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 18(2):650-663

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCRN632740190&indx=1&recIds=ETOCRN632740190

Role of inflammatory markers in the preoperative evaluation of patients undergoing salvage total hip arthroplasty

Authors: Hughes, Jessica L., Allen, Bryce C., Shaver, Courtney

Source: Proceedings. 35(1):10-14

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100137166702.0x000001&indx=1&recIds=ETOCvdc_100137166702.0x000001

Incision site fat thickness and 90-day complications for direct anterior and posterior approach total hip arthroplasty

Authors: Sprowls, Gregory R., Allen, Bryce C., Lundquist, Kathleen F., Sager, Lauren N., Barnett, Clint D.

Source: Hip international. 32(4):431-437

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCRN630392742&indx=1&recIds=ETOCRN630392742

Improved Alchemical Free Energy Calculations with Optimized Smoothstep Softcore Potentials

Authors: Lee, Tai-Sung, Lin, Zhixiong, Allen, Bryce K., Lin, Charles, Radak, Brian K., Tao, Yujun, Tsai, Hsu-Chun, Sherman, Woody, York, Darrin M.

Source: JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 16(9):5512-5525

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCRN632728512&indx=1&recIds=ETOCRN632728512

Alchemical Binding Free Energy Calculations in AMBER20: Advances and Best Practices for Drug Discovery

Authors: Lee, Tai-Sung, Allen, Bryce K., Giese, Timothy J., Guo, Zhenyu, Li, Pengfei, Lin, Charles, McGee, T. Dwight, Pearlman, David A., Radak, Brian K., Tao, Yujun

Source: JOURNAL OF CHEMICAL INFORMATION AND MODELING. 60(11):5595-5623

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCRN632685154&indx=1&recIds=ETOCRN632685154

Rigorous Free Energy Simulations in Virtual Screening

Authors: Cournia, Zoe, Allen, Bryce K., Beuming, Thijs, Pearlman, David A., Radak, Brian K., Sherman, Woody

Source: JOURNAL OF CHEMICAL INFORMATION AND MODELING. 60(9):4153-4169

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCRN632690020&indx=1&recIds=ETOCRN632690020

Predictive value of lateral soft tissue thickness for complications after total hip arthroplasty with a lateral incision

Authors: Sprowls, Gregory R., Allen, Bryce C., Wilson, Travis J., Pruszynski, Jessica E., Hammonds, Kendall A. P.

Source: Proceedings. 33(3):336-341

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100111445824.0x000001&indx=1&recIds=ETOCvdc_100111445824.0x000001

Computing Just What You Need: Online Data Analysis and Reduction at Extreme Scales
Parallel and distributed computing (International conference)

Authors: Foster, Ian, Ainsworth, Mark, Allen, Bryce, Bessac, Julie, Cappello, Franck, Choi, Jong Youl, Constantinescu, Emil, Davis, Philip E., Di, Sheng, Di, Wendy

Source: Lecture notes in computer science. 10417:3-22

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCCN602675838&indx=1&recIds=ETOCCN602675838

A codesign framework for online data analysis and reduction

Authors: Mehta, Kshitij, Allen, Bryce, Wolf, Matthew, Logan, Jeremy, Suchyta, Eric, Singhal, Swati, Choi, Jong Y., Takahashi, Keichi, Huck, Kevin, Yakushin, Igor, Sussman, Alan, Munson, Todd, Foster, Ian, Klasky, Scott

Source: Concurrency and computation. 34(14)

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100151219051.0x000001&indx=1&recIds=ETOCvdc_100151219051.0x000001

Technological Capabilities and Human Constraints: Automation and Organizational Change in Academic Libraries.

Authors: Allen, Bryce

Peer Reviewed: N

Page Count: 4

Descriptors: Academic Libraries, Change Strategies, Higher Education, Job Performance, Labor Relations, Library Administration, Library Automation, Library Personnel, Organizational Change, Organizational Development, Organizational Theories, Technological Advancement

Geographic Terms: U.S.; Illinois

Journal Code: RIEAUG1991

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