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SMILES
Indiana University Bloomington

Our Research

Project Significance

Optical materials are in every sector of modern life, from displays to solar cells. For this reason, our research has the potential for fundamental understanding of light-matter interactions and crystal engineering through to applications in both current and future technologies. Open-source software and databases will also be generated. Our alignment with the Materials Genome Initiative (MGI) involves the development of a data-backed computing and experimental workflow for making materials twice as fast (x2), or even faster.

Technology transfer will be undertaken with start-up, Halophore, Inc., and other industry partners.

A key part of our efforts include benefits to society by training graduate, undergraduate and postdoctoral coworkers in research, communication and collaboration across the disciplines of chemistry, physics and medicine. We are also planning outreach with science festivals, museum exhibits and web-based materials for careers in STEM.

Description of the video:

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Thanks to Fluorescent dies, technology has given us crystal-clear television screens

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and held video games with realistic graphics and smartphones with incredibly vivid displays.

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But what if this technology could be improved to enhance the user's experience even more?

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What would happen if the liquid Fluorescent dies were converted into an even brighter floor?

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Supported by NSF, researchers at Indiana University partnered with a team from the University of Copenhagen

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to create novel materials called smiles, small molecule, ionic isolation lattices,

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which are believed to be the brightest fluorescent materials ever made.

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Smiles are a totally new foundation or base material that offer remarkable potential for advanced, more efficient solar panels,

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more accurate solid-state lasers, precise medical imaging, and dynamic 3D displays.

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The source of smiles' powerful, unprecedented illumination is a molecular glue causing the molecules in the fluid fluorescent dies

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to gather into tightly packed solids, making them glow even brighter.

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Discover how the US National Science Foundation is advancing research at NSF.gov.
  • Over 10^5
    Kodak Dyes
  • Over 10^60
    Possible Organic Molecules
  • 98,000
    Dyes donated from Weaver Library at NCSU
  • x2
    Speed-up in materials creation using SMILES
  • 183 Million
    Growing number of cataloged compounds
  • Over 100 Million
    Scifinder Compounds
  • 1,000,000,000,000,000 000,000,000,000,000 000,000,000,000,000 000,000,000,000,000
    Estimated number of possible small organic molecules

Our Goal

Discovery, Creation, Understanding and Deployment

  • Discovery

    We see the vast sea of data on molecular dyes (105), the expansive set of registered compounds (108), and the almost infinite set of possible organic molecules (1060) as a starting point for generating a data-backed approach that doubles (x2) the rate of creation of optical materials capable of meeting the world’s most pressing needs in energy, health, and technology.

  • Creation

    Our goal is to generate a SMILES design studio for the discovery, creation, understanding and deployment of optical materials based on a seamless pipeline from molecules to materials.

  • Understanding and Deployment

    Our design studio will use advanced quantum chemistry calculations, physical models of optical phenomena, crystal engineering of ionic lattices and combine them with data centric approaches to mine the literature, our data, and solutions from the community to create SMILES materials.

hands holding smiles materials
  • Aim 1:
    Establish the cyber-infrastructure needed to predict SMILES-based optical materials by codifying the design rules governing the behavior of SMILES
  • Aim 2:

    Testing and extending the design rules governing the behavior of SMILES materials.

  • Aim 3:
    Create advanced optical materials by applying the materials creation workflow to photon upconversion, chiral light, and bio-imaging applications.
  • Short term,

    We will test hypotheses to learn how to put SMILES materials together. We will test the generality and limits of the design rules governing their construction as a charge-by-charge lattice.

    We will codify these lessons, and the physical models governing optical properties, to automate our data mining algorithms for creating SMILES materials.