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DTSTAMP:20211207T055352Z
LOCATION:227-228
DTSTART;TZID=America/Chicago:20211118T103000
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UID:submissions.supercomputing.org_SC21_sess181@linklings.com
SUMMARY:HPC and Applications
DESCRIPTION:Paper\n\nTensorKMC: Kinetic Monte Carlo Simulation of 50 Trill
 ion Atoms Driven by Deep Learning on a New Generation of Sunway Supercompu
 ter\n\nShang, Chen, Gao, Lin, Wang...\n\nThe atomic dynamics Monte Carlo (
 AKMC) method has played an important role in the multi-scale physical simu
 lation; it is the bridge connecting the micro and macro worlds. Its accura
 cy is limited, however, by the empirical potentials. In this work, we prop
 ose a vacancy-centered tabulation algorithm t...\n\n---------------------\
 nHigh Performance Uncertainty Quantification with Parallelized Multilevel 
 Markov Chain Monte Carlo\n\nSeelinger, Reinarz, Rannabauer, Bader, Bastian
 ...\n\nNumerical models of complex real-world phenomena often necessitate 
 high-performance computing (HPC). Uncertainties increase problem dimension
 ality further and pose even greater challenges.\n\nWe present a paralleliz
 ation strategy for multilevel Markov chain Monte Carlo, a state-of-the-art
 , algorithmic...\n\n---------------------\nHigh-Throughput Virtual Screeni
 ng of Small Molecule Inhibitors for SARS-CoV-2 Protein Targets with Deep F
 usion Models\n\nStevenson, Jones, Kim, Bennett, Bennion...\n\nStructure-ba
 sed Deep Fusion models were recently shown to outperform several physics- 
 and machine learning-based protein-ligand binding affinity prediction meth
 ods. As part of a multi-institutional COVID-19 pandemic response, over 500
  million small molecules were computationally screened against fou...\n\n\
 nTag: Algorithms, Applications, Machine Learning and Artificial Intelligen
 ce, Numerical Algorithms\n\nRegistration Category: Tech Program Reg Pass
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