Accelerating Materials
Discovery & Development

  • Augment experimental-based cycle of synthesis-characterization with virtual cycle of CAD
  • CAD approach to narrow design space from upwards of 100 molecules to just 10 or fewer
  • Aim for two-fold speed up of design and testing

Deployment of Fluorescent SMILES Materials
Start-up Halophore, Inc.

Learn about the company from the website and this YouTube video made for the 40th Anniversary of the Bayh-Doyle Act.

Research Related Products

  • ProtoMD - a software platform for developing multiscale molecular dynamics (MD) algorithms
  • Deductive Multiscale Simulator (DMS) - a multiscale supramolecular system simulator preserving atomic resolution and achieving orders of magnitude in computational efficiency
  • All software open source available through nanoHUB and through webpage
  • Library of molecular structure amenable to self-assembly
  • Interatomic Force Fields for promising classes of self-assembling molecules