Group Research Profile

The Jang group combines theory development and computational modeling to investigate dynamical and kinetic processes in complex molecular environments. Particular focus of the group's research has been on the quantum dynamics of excitons and charge carriers in photosynthetic light harvesting complexes and conjugated organic molecules, which have significant implications for the next generation of solar energy conversion devices. The Jang group is also interested in the development of a broad range of quantum dynamics theories and computational methods. Examples include path integral based methods and quantum master approaches. The ultimate goal of these efforts is developing general-purpose quantum dynamics software packages that can be interfaced with existing quantum chemistry and classical molecular dynamics codes. Most recently, the Jang group has also been conducting theoretical and computational research on olfaction and chemical sensing.

Selected Recent Publications

  1. Pablo Ramos, Andrew M. Levine, Adam B. Braunschweig, and Seogjoo J. Jang; "Computational investigation of excitons in minimal aggregates of dimethylated diketopyrrolopyrroles," Journal of Chemical Physics, Submitted (2022)
  2. Seogjoo J. Jang; "Partially polaron-transformed quantum master equation for exciton and charge transport dynamics," Journal of Chemical Physics, Submitted (2022)
  3. Davinder Singh, Seogjoo J. Jang, and Changbong Hyeon; "Fundamental trade-off between the speed of light and photon current fluctuations in electromagnetically induced slow-light medium," Physical Review Research, Submitted (2022)
  4. Seogjoo J. Jang, Irene Burghardt, Chao-Ping Hsu, and Christopher J. Bardeen, "Excitons: Energetics and spatiotemporal dynamics," Journal of Chemical Physics 155, 200401 (2021)
  5. Seogjoo J. Jang; "A simple generalization of the energy gap law for nonradiative processes," Journal of Chemical Physics 155, 164106 (2021)
  6. Andrew M Levine, Guiying He, Guanhong Bu, Pablo Ramos, Fanglue Wu, Aisha Soliman, Jacqueline Serrano, Dorian Pietraru, Christopher Chan, James D Batteas, Marta Kowalczyk, Seogjoo J. Jang, Brent L Nannenga, Matthew Y Sfeir, Esther H R. Tsai, and Adam B Braunschweig; "Efficient Free Triplet Generation Follows Singlet Fission in Diketopyrrolopyrrole Polymorphs with Goldilocks Coupling," Journal of Physical Chemistry C 125, 12207 - 12213(2021)
  7. Kara Ng, Megan Webster, William P Carbery, Nikunjkumar Visaveliya, Pooja Gaikwad, Seogjoo J. Jang, Ilona Kretzschmar, and Dorthe M Eisele; "Frenkel excitons in heat-stressed supramolecular nanocomposites enabled by tunable cage-like scaffolding," Nature Chemistry 12, 1157 - 1164 (2020)
  8. Lei Yang and Seogjoo J. Jang; "Theoretical investigation of non-Forster exciton transfer mechanisms in perylene diimide donor, phenylene bridge, and terrylene diimide acceptor systems," Journal of Chemical Physics 153, 144305 (2020)
  9. Ning Chen, Murali Devi, and Seogjoo J. Jang; "Computational modeling of charge hopping dynamics along a disordered one-dimensional wire with energy gradients in quantum environments," Journal of Chemical Physics 153, 054109 (2020)
  10. Seogjoo J. Jang; "Dynamics of molecular excitons," Book in Nanophotonics Series (ISBN: 9780081023358)(Elsevier) (2020)
  11. Seogjoo J. Jang; "Fourth order expressions for the electronic absorption lineshape of molecular excitons," Journal of Chemical Physics (Special Issue on Open System Quantum Dynamics), 151, 044110 (2019)
  12. Marta Kowalczyk, Ning Chen, and Seogjoo J. Jang, "Comparative computational study of electronic excitations of neutral and charged small oligothiophenes and their extrapolations based on simple models," ACS Omega 4, 5758-5767 (2019)
  13. Marta Kowalczyk, Ning Chen, and Seogjoo J. Jang, "Comparative computational study of electronic excitations of neutral and charged small oligothiophenes and their extrapolations based on simple models," ACS Omega 4, 5758-5767 (2019)
  14. Seogjoo J. Jang, "Effects of donor-acceptor quantum coherence and non-Markovian bath on the distance dependence of resonance energy transfer," Jounral of Physical Chemistry C 123, 5767-5775 (2019)
  15. Seogjoo J. Jang, "Robust and fragile quantum effects in the transfer kinetics of delocalized excitons between B850 units of LH2 complexes," Journal of Physical Chemistry Letters 9, 6576-6583 (2018)
  16. Seogjoo J. Jang and Benedetta Mennucci, "Delocalized excitons in natural light-harvesting complexes," Reviews of Modern Physics 90, 035003 (2018)
  17. Ji Hyun Bak, Seogjoo J. Jang, and Changbong Hyeon, "Implications for human odor sensing revealed from the statistics of odorant-receptor interactions," PLOS Computational Biology 14(5): e1006175 (2018)
  18. Daniel Montemayor, Eva Rivera, and Seogjoo J. Jang, "Computational modeling of exciton-bath Hamiltonians for light harvesting 2 and light harvesting 3 complexes of purple photosynthetic bacteria at room temperature," Journal of Physical Chemistry B 122, 3815-3825 (2018)
  19. Seogjoo Jang and Gregory A. Voth, "Non-uniqueness of quantum transition state theory and general dividing surfaces in the path integral space," Journal of Chemical Physics 146, 174106 (2017)
  20. Seogjoo Jang and Changbong Hyeon, "Kinetic model for the activation of mammalian olfactory receptor," Journal of Physical Chemistry B, 121 1304 (2017)
  21. Seogjoo Jang "Bridging the gap between coherent and incoherent resonance energy transfer dynamics by quantum master equations in the polaron picture," in Ultrafast Dynamics at the Nanoscale: Biomolecules and Supramolecular Assemblies (Edited by Stefan Haacke and Irene Burghardt, Pan Stanford) Singapore (2016)
  22. Seogjoo Jang, "Generalized quantum Fokker-Planck equation for photo induced nonequilibrium processes with positive definiteness condition," Journal of Chemical Physics 144, 214102 (2016)
  23. Seogjoo Jang and Gregory A. Voth, "Can quantum transition state theory be defined as an exact t=0+ limit?," Journal of Chemical Physics 144, 084110 (2016)

© 2022 The Jang Group, Chemistry Department, Queens College, CUNY.