John R. Ossyra, Ada Sedova, Arnold N. Tharrington, Frank Noé, Cecilia Clementi, Jeremy C. Smith. Porting Adaptive Ensemble Molecular Dynamics Workflows to the Summit Supercomputer. In Michèle Weiland, Guido Juckeland, Sadaf R. Alam, Heike Jagode, editors, High Performance Computing - ISC High Performance 2019 International Workshops, Frankfurt, Germany, June 16-20, 2019, Revised Selected Papers. Volume 11887 of Lecture Notes in Computer Science, pages 397-417, Springer, 2019. [doi]
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