Inverse Design for Self Assembly via On-the-Fly Optimization

  title={Inverse Design for Self Assembly via On-the-Fly Optimization},
  author={Beth A. Lindquist and Ryan B. Jadrich and Thomas M Truskett},
  journal={arXiv: Statistical Mechanics},
Inverse methods of statistical mechanics have facilitated the discovery of pair potentials that stabilize a wide variety of targeted lattices at zero temperature. However, such methods are complicated by the need to compare, within the optimization framework, the energy of the desired lattice to all possibly relevant competing structures, which are not generally known in advance. Furthermore, ground-state stability does not guarantee that the target will readily assemble from the fluid upon… 

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