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Scalable HPC and AI Infrastructure for COVID-19 Therapeutics.
Hyungro Lee, André Merzky, Li Tan, Mikhail Titov, Matteo Turilli, Dario Alfè, Agastya Bhati, Alex Brace, Austin Clyde, Peter V. Coveney, Heng Ma, Arvind Ramanathan, Rick Stevens, Anda Trifan, Hubertus...
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IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better...
Aymen Al Saadi, Dario Alfè, Yadu N. Babuji, Agastya Bhati, Ben Blaiszik, Thomas S. Brettin, Kyle Chard, Ryan Chard, Peter V. Coveney, Anda Trifan, Alex Brace, Austin Clyde, Ian T. Foster, Tom Gibbs,...
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Achieving 100X faster simulations of complex biological phenomena by coupling...
Alexander Brace, Hyungro Lee, Heng Ma, Anda Trifan, Matteo Turilli, Igor Yakushin, Todd S. Munson, Ian T. Foster, Shantenu Jha, Arvind Ramanathan: Achieving 100X faster simulations of complex...
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Stream-AI-MD: streaming AI-driven adaptive molecular simulations for...
Alexander Brace, Michael Salim, Vishal Subbiah, Heng Ma, Murali Emani, Anda Trifan, Austin R. Clyde, Corey Adams, Thomas D. Uram, Hyun Seung Yoo, Andew Hock, Jessica Liu, Venkatram Vishwanath, Arvind...
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Scalable HPC & AI infrastructure for COVID-19 therapeutics.
Hyungro Lee, André Merzky, Li Tan, Mikhail Titov, Matteo Turilli, Dario Alfè, Agastya Bhati, Alex Brace, Austin Clyde, Peter V. Coveney, Heng Ma, Arvind Ramanathan, Rick Stevens, Anda Trifan, Hubertus...
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IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better...
Aymen Al Saadi, Dario Alfè, Yadu N. Babuji, Agastya Bhati, Ben Blaiszik, Alexander Brace, Thomas S. Brettin, Kyle Chard, Ryan Chard, Austin Clyde, Peter V. Coveney, Ian T. Foster, Tom Gibbs, Shantenu...
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AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike...
Lorenzo Casalino, Abigail C. Dommer, Zied Gaieb, Emília P. Barros, Terra Sztain, Surl-Hee Ahn, Anda Trifan, Alexander Brace, Anthony T. Bogetti, Austin Clyde, Heng Ma, Hyungro Lee, Matteo Turilli, Syma...
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Coupling streaming AI and HPC ensembles to achieve 100-1000× faster...
Alexander Brace, Igor Yakushin, Heng Ma, Anda Trifan, Todd S. Munson, Ian T. Foster, Arvind Ramanathan, Hyungro Lee, Matteo Turilli, Shantenu Jha: Coupling streaming AI and HPC ensembles to achieve...
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High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main...
Austin Clyde, Stephanie Galanie, Daniel W. Kneller, Heng Ma, Yadu N. Babuji, Ben Blaiszik, Alexander Brace, Thomas S. Brettin, Kyle Chard, Ryan Chard, Leighton Coates, Ian T. Foster, Darin Hauner,...
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Intelligent resolution: Integrating Cryo-EM with AI-driven multi-resolution...
Anda Trifan, Defne Gorgun, Michael Salim, Zongyi Li, Alexander Brace, Maxim Zvyagin, Heng Ma, Austin Clyde, David Clark, David J. Hardy, Tom Burnley, Lei Huang, John D. McCalpin, Murali Emani,...
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DeepSpeed4Science Initiative: Enabling Large-Scale Scientific Discovery...
Shuaiwen Leon Song, Bonnie Kruft, Minjia Zhang, Conglong Li, Shiyang Chen, Chengming Zhang, Masahiro Tanaka, Xiaoxia Wu, Jeff Rasley, Ammar Ahmad Awan, Connor Holmes, Martin Cai, Adam Ghanem, Zhongzhu...
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Linking the Dynamic PicoProbe Analytical Electron-Optical Beam Line /...
Alexander Brace, Rafael Vescovi, Ryan Chard, Nickolaus D. Saint, Arvind Ramanathan, Nestor J. Zaluzec, Ian T. Foster: Linking the Dynamic PicoProbe Analytical Electron-Optical Beam Line / Microscope to...
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Linking the Dynamic PicoProbe Analytical Electron-Optical Beam Line /...
Alexander Brace, Rafael Vescovi, Ryan Chard, Nickolaus D. Saint, Arvind Ramanathan, Nestor J. Zaluzec, Ian T. Foster: Linking the Dynamic PicoProbe Analytical Electron-Optical Beam Line / Microscope to...
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GenSLMs: Genome-scale language models reveal SARS-CoV-2 evolutionary dynamics.
Maxim Zvyagin, Alexander Brace, Kyle Hippe, Yuntian Deng, Bin Zhang, Cindy Orozco Bohorquez, Austin Clyde, Bharat Kale, Danilo Perez-Rivera, Heng Ma, Carla M. Mann, Michael W. Irvin, Defne G. Ozgulbas,...
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#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta...
Abigail C. Dommer, Lorenzo Casalino, Fiona L. Kearns, Mia Rosenfeld, Nicholas Wauer, Surl-Hee Ahn, John Russo, A. Sofia F. Oliveira, Clare Morris, Anthony T. Bogetti, Anda Trifan, Alexander Brace,...
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