Experiences Porting NAMD to the Data Parallel C++ Programming Model-Reference-Cited by-同舟云学术

Experiences Porting NAMD to the Data Parallel C++ Programming Model

Published:2022-05-10 Issue: Volume: Page:
ISSN:
Container-title:International Workshop on OpenCL
language:
Short-container-title:

Author:

Hardy David J¹,Choi Jaemin²,Jiang Wei³,Tajkhorshid Emad¹

Affiliation:

1. Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, United States

2. Department of Computer Science, University of Illinois at Urbana-Champaign, United States

3. Argonne Leadership Computing Facility, Argonne National Laboratory, United States

Publisher

ACM

Link

https://dl.acm.org/doi/pdf/10.1145/3529538.3529560

Reference10 articles.

1. Lorenzo Casalino , Abigail C Dommer , Zied Gaieb , Emilia P Barros , Terra Sztain , Surl-Hee Ahn , Anda Trifan , Alexander Brace , Anthony T Bogetti , Austin Clyde , Heng Ma, Hyungro Lee, Matteo Turilli, Syma Khalid, Lillian T Chong, Carlos Simmerling, David J Hardy , Julio DC Maia, James C Phillips, Thorsten Kurth, Abraham C Stern, Lei Huang, John D McCalpin, Mahidhar Tatineni, Tom Gibbs, John E Stone, Shantenu Jha, Arvind Ramanathan, and Rommie E Amaro. 2021 . AI-Driven Multiscale Simulations Illuminate Mechanisms of SARS-CoV-2 Spike Dynamics. Int. J. High Perform. C.( 2021), 10943420211006452. https://doi.org/10.1177/10943420211006452 10.1177/10943420211006452 Lorenzo Casalino, Abigail C Dommer, Zied Gaieb, Emilia P Barros, Terra Sztain, Surl-Hee Ahn, Anda Trifan, Alexander Brace, Anthony T Bogetti, Austin Clyde, Heng Ma, Hyungro Lee, Matteo Turilli, Syma Khalid, Lillian T Chong, Carlos Simmerling, David J Hardy, Julio DC Maia, James C Phillips, Thorsten Kurth, Abraham C Stern, Lei Huang, John D McCalpin, Mahidhar Tatineni, Tom Gibbs, John E Stone, Shantenu Jha, Arvind Ramanathan, and Rommie E Amaro. 2021. AI-Driven Multiscale Simulations Illuminate Mechanisms of SARS-CoV-2 Spike Dynamics. Int. J. High Perform. C.(2021), 10943420211006452. https://doi.org/10.1177/10943420211006452

2. Abigail Dommer Lorenzo Casalino Fiona Kearns Mia Rosenfeld Nicholas Wauer Surl-Hee Ahn John Russo Sofia Oliveira Clare Morris Anthony Bogetti Anda Trifan Alexander Brace Terra Sztain Austin Clyde Heng Ma Chakra Chennubhotla Hyungro Lee Matteo Turilli Syma Khalid Teresa Tamayo-Mendoza Matthew Welborn Anders Christensen Daniel G. A. Smith Zhuoran Qiao Sai Krishna Sirumalla Michael O’Connor Frederick Manby Anima Anandkumar David Hardy James Phillips Abraham Stern Josh Romero David Clark Mitchell Dorrell Tom Maiden Lei Huang John McCalpin Christopher Woods Alan Gray Matt Williams Bryan Barker Harinda Rajapaksha Richard Pitts Tom Gibbs John Stone Daniel Zuckerman Adrian Mulholland Thomas Miller III Shantenu Jha Arvind Ramanathan Lillian Chong and Rommie Amaro. 2022. #COVIDisAirborne: AI-Enabled Multiscale Computational Microscopy of Delta SARS-CoV-2 in a Respiratory Aerosol. Int. J. High Perform. C.(2022). To appear. Abigail Dommer Lorenzo Casalino Fiona Kearns Mia Rosenfeld Nicholas Wauer Surl-Hee Ahn John Russo Sofia Oliveira Clare Morris Anthony Bogetti Anda Trifan Alexander Brace Terra Sztain Austin Clyde Heng Ma Chakra Chennubhotla Hyungro Lee Matteo Turilli Syma Khalid Teresa Tamayo-Mendoza Matthew Welborn Anders Christensen Daniel G. A. Smith Zhuoran Qiao Sai Krishna Sirumalla Michael O’Connor Frederick Manby Anima Anandkumar David Hardy James Phillips Abraham Stern Josh Romero David Clark Mitchell Dorrell Tom Maiden Lei Huang John McCalpin Christopher Woods Alan Gray Matt Williams Bryan Barker Harinda Rajapaksha Richard Pitts Tom Gibbs John Stone Daniel Zuckerman Adrian Mulholland Thomas Miller III Shantenu Jha Arvind Ramanathan Lillian Chong and Rommie Amaro. 2022. #COVIDisAirborne: AI-Enabled Multiscale Computational Microscopy of Delta SARS-CoV-2 in a Respiratory Aerosol. Int. J. High Perform. C.(2022). To appear.

3. Binding Mode of SARS-CoV2 Fusion Peptide to Human Cellular Membranes

4. David J. Hardy John E. Stone Barry Isralewitz and Emad Tajkhorshid. 2021. Lessons Learned from Responsive Molecular Dynamics Studies of the COVID-19 Virus. In 2021 IEEE/ACM HPC for Urgent Decision Making (UrgentHPC). 1-10. https://doi.org/10.1109/UrgentHPC54802.2021.00006 10.1109/UrgentHPC54802.2021.00006

5. David J. Hardy John E. Stone Barry Isralewitz and Emad Tajkhorshid. 2021. Lessons Learned from Responsive Molecular Dynamics Studies of the COVID-19 Virus. In 2021 IEEE/ACM HPC for Urgent Decision Making (UrgentHPC). 1-10. https://doi.org/10.1109/UrgentHPC54802.2021.00006

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