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Novel Coronavirus Prompts Computer Sharing

A consortium of high-performance computing centers helps fast-track COVID-19 vaccine, drug, and epidemiology calculations.
April 30, 2020
Modeling image from Pacific Northwest National Laboratory.Supercomputers are essential for solving the so-called influence maximization problem, which can be used to determine how best to distribute a limited amount of protective gear or, eventually, a vaccine.

Supercomputers are essential for solving the so-called influence maximization problem, which can be used to determine how best to distribute a limited amount of protective gear or, eventually, a vaccine. Photo credit: Pacific Northwest National Laboratory.

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But simulating a complex molecule with molecular dynamics can take “vast quantities of time,” —Irene Qualters


Originally published by Physics Apr. 23, 2020.

One resource that’s not in short supply during the pandemic is computing power. For researchers working to combat COVID-19, access to these resources has recently gotten easier, thanks to a collective effort that unites the computing capabilities of 33 government labs, universities, and private companies in the US. 

Simulating a complex molecule with molecular dynamics can take “vast quantities of time,” explains Irene Qualters, Associate Laboratory Director for Simulation and Computing at Los Alamos National Laboratory, New Mexico. That’s why many of the projects are incorporating artificial intelligence (AI) to guide the calculations. “AI is being used to target a simulation for a particular aspect of the virus.” 

https://physics.aps.org/articles/v13/66