Long ago we worked with UCSD group, in the Bio Modeling area.
San Diego Supercomputer Center Helps Advance Computational Chemistry By University of California San Diego, February 18, 2021
MIT's Heather Kulik and colleagues used the Comet supercomputer at the University of California, San Diego's San Diego Supercomputer Center and the Bridges supercomputer at the Pittsburgh Supercomputing Center in this effort. The resulting artificial neural network models predict strong correlation in materials at significantly lower computational cost than conventional models, potentially accelerating the search for materials in diverse applications.
The MIT team's workflow engaged with at least three electronic structure codes and utilized central processing units and graphics processing units on Comet and Bridges. "Using those supercomputers firsthand allowed me to think about ways I can teach students who may just be learning computational chemistry to complement their experimental research for ways that they can use not only now but in the future," Kulik says. ...
From University of California San Diego
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