183 citations · 355 across the 11 of their papers we have counts for
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cond-mat.soft2023★ 1 cited
Transfer Learning Facilitates the Prediction of Polymer-Surface Adhesion Strength
Jiale Shi, Fahed Albreiki, Yamil J. Colón +2
Machine learning (ML) accelerates the exploration of material properties and their links to the structure of the underlying molecules. In previous work [J. Shi, M. J. Quevillon, P.…
physics.comp-ph2023★ 22 cited
PySAGES: flexible, advanced sampling methods accelerated with GPUs
Pablo F. Zubieta Rico, Ludwig Schneider, Gustavo R. Pérez-Lemus +11
Molecular simulations are an important tool for research in physics, chemistry, and biology. The capabilities of simulations can be greatly expanded by providing access to advanced…