Molecular Inverse-Design Platform for Material Industries
Seiji Takeda, Toshiyuki Hama, et al.
KDD 2020
We present a molecular dynamics study of the effect of core chemistry on star polymer structural and kinetic properties. This work serves to validate the choice of a model adamantane core used in previous simulations to represent larger star polymeric systems in an aqueous environment, as well as to explore how the choice of size and core chemistry using a dendrimer or nanogel core may affect these polymeric nanoparticle systems, particularly with respect to thermosensitivity and solvation properties that are relevant for applications in drug loading and delivery.
Seiji Takeda, Toshiyuki Hama, et al.
KDD 2020
Robert Miller, Rosmadi M. Yusoff, et al.
Polymer
Victoria A. Piunova, Hans W. Horn, et al.
J Polym Sci Part A
Doreen Chan, Jun-Chau Chien, et al.
Advanced Materials