Research topics:

My research explores the intricate structure-property relationships of organic dyes to enhance their performance in diverse applications such as bioimaging, biosensing, therapeutic interventions, and photocatalysis. At the core of our work is computational modeling, which we use independently and in collaboration with synthetic chemists to systematically analyze these relationships and establish rational design principles for specific functional requirements.

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11 to 20 of 51 Results
PET_calculations.zip
May 26, 2026 - Replication Data for: A general strategy towards multicolor fluorogenic peptides for wash-free bioassays
ZIP Archive - 1.7 GB - MD5: 541c237565ec1a37d5552216afb3811f
The `PET_calculations` folder contains Gaussian output files used to evaluate photoinduced electron transfer (PET) behavior in dye-Trp systems. The calculations are organized by solvent/environment, compound, and electronic state, including ground-state, locally excited-state, an...
TICT_calculations.zip
May 26, 2026 - Replication Data for: A general strategy towards multicolor fluorogenic peptides for wash-free bioassays
ZIP Archive - 634.2 MB - MD5: ffb2fe4dd8600316c8f297f15d1a11ad
The `TICT_calculations` folder contains Gaussian calculation files used to examine twisted intramolecular charge-transfer (TICT) behavior for compounds 10 and 14. The deposited data include ground-state and excited-state optimized structures, TICT/dihedral rotation scans, refined...
Supplementary Video 10.mov
Feb 7, 2026 - A Computational Workflow for Uncovering Photoinduced Electron Transfer Mechanisms in Fluorescent Molecules
Quicktime Video - 63.1 MB - MD5: 1d196356ba9b2c13f900aeedd3f3f45f
Supplementary Video 11.mov
Feb 7, 2026 - A Computational Workflow for Uncovering Photoinduced Electron Transfer Mechanisms in Fluorescent Molecules
Quicktime Video - 69.0 MB - MD5: 747e83e9d39ff4f2a1deb8687b730701
Supplementary Video 12.mov
Feb 7, 2026 - A Computational Workflow for Uncovering Photoinduced Electron Transfer Mechanisms in Fluorescent Molecules
Quicktime Video - 39.7 MB - MD5: 15ee0689e92e30e731a9ac3fbf19f3c3
Supplementary Video 13.mov
Feb 7, 2026 - A Computational Workflow for Uncovering Photoinduced Electron Transfer Mechanisms in Fluorescent Molecules
Quicktime Video - 54.5 MB - MD5: 8d4c9f48a1a599b03cfef63371f65f58
Supplementary Video 14.mov
Feb 7, 2026 - A Computational Workflow for Uncovering Photoinduced Electron Transfer Mechanisms in Fluorescent Molecules
Quicktime Video - 26.9 MB - MD5: 3111fbdcd2e33e3b939094981ebe1464
Supplementary Video 15.mov
Feb 7, 2026 - A Computational Workflow for Uncovering Photoinduced Electron Transfer Mechanisms in Fluorescent Molecules
Quicktime Video - 48.8 MB - MD5: 41896e4a202097573a0e4e8b4afe100e
Supplementary Video 16.mov
Feb 7, 2026 - A Computational Workflow for Uncovering Photoinduced Electron Transfer Mechanisms in Fluorescent Molecules
Quicktime Video - 23.0 MB - MD5: 44d6a4089c5e13d0dd0091732fddde93
Supplementary Video 17.mov
Feb 7, 2026 - A Computational Workflow for Uncovering Photoinduced Electron Transfer Mechanisms in Fluorescent Molecules
Quicktime Video - 63.6 MB - MD5: fd4e6b9d3c065a697ac83a88dd93cf56
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