SOMA LabAjou University

SOMA Lab

Research

We design organic molecules and their assemblies to control how materials emit, absorb, and respond to light, heat, and chemical stimuli, combining synthesis, crystal and liquid-crystal engineering, photophysics, and quantum-chemical calculations with machine learning.

How we workPurely Organic PhosphorsCircularly Polarized LuminescenceChromogenic Polymers and SensorsSustainable Adhesives and Soft Materials

How we work

Calculation and experiment run as one loop in our lab: machine learning and quantum chemistry choose which molecules we make, and check what we measure.

Calculation–experiment loopMachine learning and quantum chemistry at the centre predict candidate molecules, which are made, assembled and measured; the measured data feed back into the models, which also explain the results. data AI + quantum chemistry Predict Make Assemble Measure Explain
  1. PredictAI

    Quantum-chemical calculations and machine-learning models screen candidate molecules for emission color, spin–orbit coupling, and lifetime before we make them.

  2. Make

    We synthesize the most promising candidates.

  3. Assemble

    We arrange them in crystals, liquid crystals, polymers, and supramolecular assemblies.

  4. Measure

    We measure steady-state and time-resolved emission, chiroptical response, and structure.

  5. ExplainAI

    Calculations and models check the measured results and reveal the mechanism behind them. Each round of data refines the next prediction.

3D ball-and-stick model of a dibromoterephthalate phosphor glowing blue, with neighboring molecules of the crystal lattice in the background

Purely Organic Phosphors

Metal-free phosphors are attractive for displays, sensing, and security inks, but their triplet emission is usually slow and easily quenched. We study how molecular conformation and crystal packing control spin–orbit coupling, and use these rules to design organic phosphors with fast, bright, and switchable room-temperature phosphorescence.

  • Organic synthesis
  • Single-crystal X-ray diffraction
  • Time-resolved photoluminescence
  • DFT / TD-DFT
  • Carbonyl orientation and spin–orbit coupling in brominated aromatics
  • Polymorph- and pseudopolymorph-dependent emission
  • Phosphorescence color switching for data encryption

Selected papers

Reversible phosphorescence color switching of BrGlu between green and blue crystals
Figure from Heo et al., Nat. Commun. 2026, 17, 3039, licensed under CC BY 4.0. Paper
3D helical supramolecular assembly of stacked luminescent molecules emitting blue, green, and red circularly polarized light

Circularly Polarized Luminescence

Circularly polarized luminescence (CPL) is needed for 3D displays and optical encryption. We build chiral supramolecular assemblies that transfer chirality to luminescent molecules, using approaches such as chiral self-assembly and liquid-crystal templating, and we study how the sign and magnitude of CPL can be controlled.

  • Liquid-crystal templating
  • Polarized optical microscopy
  • CD / CPL spectroscopy
  • Chemical vapor polymerization
  • Chiral supramolecular assemblies of luminescent molecules
  • Liquid-crystal-templated chiral scaffolds
  • Circularly polarized phosphorescence and full-color CPL

Selected papers

Schematic and polarized optical microscope images of clockwise and counter-clockwise pinwheel domains formed by an achiral liquid crystal in microchannels under an electric field
Figure from Han et al., Nat. Commun. 2026, 17, 9413, licensed under CC BY 4.0. Paper
3D polydiacetylene ene-yne backbone shading from blue to red, above blue and red bilayer vesicles linked by heating and cooling arrows

Chromogenic Polymers and Sensors

Polydiacetylenes change color in response to heat, solvents, and molecular recognition. By engineering hydrogen bonding and packing in the monomers, we develop reversible color-changing materials and simple colorimetric sensors for temperature, volatile organic compounds, and biomolecules.

  • Diacetylene synthesis
  • Vesicle self-assembly
  • Topochemical photopolymerization
  • Colorimetric sensing
  • Reversible thermochromism in polydiacetylene vesicles
  • Colorimetric sensing of volatile organic compounds and biomolecules
  • Self-assembled macrocyclic diacetylenes and nanotubes

Selected papers

Dual hydrogen-bonding molecular design and reversible blue-to-red thermochromism of polydiacetylene vesicles
Graphical abstract, Yang et al., Chem. Eng. J. 2026, 182756. Paper
3D view of two substrates bonded by a crosslinked polymer network anchored through catechol groups at both interfaces

Sustainable Adhesives and Soft Materials

Mussel-inspired catechol chemistry offers strong adhesion to diverse surfaces. We study catechol–amine crosslinking and supramolecular interactions to design adhesives and coatings, and extend these ideas to responsive soft materials such as hydrogels.

  • Catechol chemistry
  • Crosslinked polymer networks
  • Adhesion testing
  • Hydrogels
  • Catechol–amine crosslinked coatings and adhesives
  • Supramolecular structural adhesives
  • Stimuli-responsive hydrogels

Selected papers