Read more about the Gordon Bell Special Prize for COVID-19 Research here. This marks the second Gordon Bell Prize for NAMD, which was Use of AI-driven simulation for multiscale modeling. Scale of weighed ensemble accelerated sampling, and the Molecular dynamics strong scaling performance, the The team set several new high-water marks for the full virion simulation, Were well-prepared for the challenges posed by the projectĪnd its highly compressed research timeline. Viruses and other large systems of up to one-billion atoms, NAMD and VMD Hardware vendors and national laboratories deploying top tier systems,Īnd our lab's prior work to enable large all-atom simulations of Molecular dynamics, ongoing technology collaborations with Team increased effective performance by orders of magnitude.īuild complete structures, prepare the simulations,Īnalyze the results, and create all of the team's visualizationsĭue to its unique capacity for working withĮxtremely large biomolecular systems and diverse structure data.ĭue to decades of prior investment in the development of parallel The AI-driven workflow and weighted ensemble methods used by the The NAMD simulations collectively performed over one ZettaFLOP
Operated by the Oak Ridge National Laboratory. Summit, the most powerful supercomputer in the United States, Its interaction with the human receptor ACE2,Īnd 305M-atom simulations of the full SARS CoV-2 virion, using The winning team developed a new AI-driven simulation workflow toĭrive 8.5M-atom simulations of the SARS CoV-2 spike protein, Were part of a talented multi-institutional interdisciplinary team awardedĪt Supercomputing 2020 with the internationally recognizedĪCM Gordon Bell Special Prize for COVID-19 Research,ĭescribed as the "Nobel Prize for high performance computing."
Members of the Theoretical and Computational Biophysics Group Is distributed free of charge, and includes source code. VMD supports computers running MacOS X, Unix, or Windows, VMD is a molecular visualization program for displaying, animating,Īnd analyzing large biomolecular systems using 3-D graphics and
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