1 code implementation • 6 Oct 2021 • Logan Ward, Ganesh Sivaraman, J. Gregory Pauloski, Yadu Babuji, Ryan Chard, Naveen Dandu, Paul C. Redfern, Rajeev S. Assary, Kyle Chard, Larry A. Curtiss, Rajeev Thakur, Ian Foster
Scientific applications that involve simulation ensembles can be accelerated greatly by using experiment design methods to select the best simulations to perform.
1 code implementation • 7 Jun 2019 • Logan Ward, Ben Blaiszik, Ian Foster, Rajeev S. Assary, Badri Narayanan, Larry Curtiss
Recent studies illustrate how machine learning (ML) can be used to bypass a core challenge of molecular modeling: the tradeoff between accuracy and computational cost.