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. 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)
  2. 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)
  3. 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)
  4. Seogjoo J. Jang and Benedetta Mennucci, "Delocalized excitons in natural light-harvesting complexes," Reviews of Modern Physics 90, 035003 (2018)
  5. 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)
  6. 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)
  7. 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)
  8. Seogjoo Jang and Changbong Hyeon, "Kinetic model for the activation of mammalian olfactory receptor," Journal of Physical Chemistry B, 121 1304 (2017)
  9. 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)
  10. Seogjoo Jang, "Generalized quantum Fokker-Planck equation for photo induced nonequilibrium processes with positive definiteness condition," Journal of Chemical Physics 144, 214102 (2016)
  11. 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)
  12. Eric Block, Seogjoo Jang, Hiroaki Matsunami, Sivakumar Sekharan, Berenice Dethier, Mehmed Z. Ertem, Sivaji Gundala, Yi Pan, Shengju Li, Zhen Li, Stephene N. Lodge, Mehmet Ozbil, Huihong Jiang, Sonia F. Penalba, Victor Batista, and Hanyi Zhuang, "Implausibility of the vibrational theory of olfaction," Proceedings of the National Academy of Sciences, USA, 112, E2766 (2015)
  13. Seogjoo Jang and Andres Montoya-Castillo, "Charge hopping dynamics along a disordered chain in quantum environments: Comparative study of different rate kernels," Journal of Physical Chemistry B 119, 7659 (2015)
  14. Seogjoo Jang, Eva Rivera, and Daniel Montemayor, "Molecular level design principle behind optimal sizes of photosynthetic LH2 complex: Taming disorder through cooperation of hydrogen bonding and quantum delocalization," Journal of Physical Chemistry Letters 6, 928 (2015)
  15. Seogjoo Jang, Stephan Hoyer, Birgitta Whaley, and Graham R. Fleming, "Generalized master equation with non-Markovian multichromophoric Forster resonance energy transfer for modular exciton densities," Physical Review Letters 113, 188102 (2014)
  16. Seogjoo Jang, Anton Sinitskiy, and Gregory A. Voth, "Can the ring polymer molecular dynamics method be interpreted as real time quantum dynamics?," Journal of Chemical Physics 140, 154103 (2014)

© 2020 The Jang Group, Chemistry Department, Queens College, CUNY.