183 citations · 355 across the 11 of their papers we have counts for
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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.…
Predicting Adhesive Free Energies of Polymer--Surface Interactions with Machine Learning
Jiale Shi, Michael J. Quevillon, Pedro H. Amorim Valença +1
Polymer-surface interactions are crucial to many biological processes and industrial applications. Here we propose a machine-learning method to connect a model polymer's sequence w…
Linking dynamics and structure in highly asymmetric ionic liquids
Mariana E. Farías-Anguiano, Ernesto C. Cortés-Morales, Jonathan K. Whitmer +1
We explore an idealized theoretical model for the transport of ions within highly asymmetric ionic liquid mixtures. A primitive model (PM)-inspired system serves as a representativ…
Automatic Determination of -Cyanobiphenyl Elastic Constants from Molecular Simulation
Hythem Sidky, Jonathan K. Whitmer
New applications of liquid crystalline materials have increased the need for precise engineering of elastic properties. Recently, Sidky et al. presented methods by which the elasti…
Orientationally Glassy Crystals of Janus Spheres
Shan Jiang, Jing Yan, Jonathan K. Whitmer +3
Colloidal Janus spheres in water (one hemisphere attractive and the other repulsive) assemble into two-dimensional hexagonal crystals with orientational order controlled by anisotr…