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Computer-aided design (CAD) of Fluorescent Materials  

In collaboration with the Flood group, we carry out CAD of small-molecule, ionic isolation lattices (SMILES). SMILES use ion-driven assembly to organize cationic dyes into a checkerboard lattice. This allows dyes to overcome the 150 year old problem of emission quenching in the solid state. Fluorescence relies on spatial and electronic isolation of the dyes. Using theory, we design, guide, and accelerate the creation of these materials. Ongoing work to discover new classes of programmable fluroescent materials (ex: charge-transfer, upconversion).

Recent Publications:

"Plug-and-play Optical Materials from Fluorescent Dyes and Macrocycles”, C. R. Benson, L. Kacenauskaite, K. L. VanDenburgh, W. Zhao, B. Qiao, T. Sadhukhan, M. Pink, J. Chen, S. Borgi, C.-H . Chen, K. Raghavachari, B. W. Laursen, A. H. Flood”, CHEM 6, 1978-1997 (2020). https://doi.org/10.1016/j.chempr.2020.06.029

"Triplet States of Cyanostar and its Anion Complexes”, F. Edhborg, A. Olesund, V. Tripathy, Y. Wang, T. Sadhukhan, A. H. Olsson, N. Bisballe, K. Raghavachari, B. W. Laursen, Bo Albinsson, and A. H. Flood, J. Phys. Chem. A 127, 5841–5850 (2023). https://doi.org/10.1021/acs.jpca.3c02701

"Zero-Overlap Fluorophores for Fluorescent Studies at Any Concentration”, A. Dhara, T. Sadhukhan, E. G. Sheetz, A. H. Olsson, K. Raghavachari, and Amar H. Flood, J. Amer. Chem. Soc. (2020) . https://dx.doi.org/10.1021/jacs.0c02450

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