MIT Open Access Articles: Recent submissions

Now showing items 1-3 of 54604

    • Generative BigSMILES: an extension for polymer informatics, computer simulations & ML/AI 

      Schneider, Ludwig; Walsh, Dylan; Olsen, Bradley; de Pablo, Juan (Royal Society of Chemistry, 2023-11-17)
      The BigSMILES notation, a concise tool for polymer ensemble representation, is augmented here by introducing an enhanced version called generative BigSMILES. G-BigSMILES is designed for generative workflows, and is ...

    • Calculating Pairwise Similarity of Polymer Ensembles via Earth Mover’s Distance 

      Shi, Jiale; Walsh, Dylan; Zou, Weizhong; Rebello, Nathan J; Deagen, Michael E; e.a. (American Chemical Society, 2024-02-14)
      Synthetic polymers, in contrast to small molecules and deterministic biomacromolecules, are typically ensembles composed of polymer chains with varying numbers, lengths, sequences, chemistry, and topologies. While numerous ...

    • Engineered selective biotoxin‐binding hydrogels for toxin sequestration 

      Morris, Melody A; Yang, Yun Jung; Mai, Danielle J; Olsen, Bradley D (Wiley, 2024-03-22)
      The development of synthetic selective membranes that separate materials of similar sizes, charges, and/or polarities remains a difficult challenge, and looking towards biology provides inspiration for new designs. In this ...