Here is a full list of publications by Prof. Seogjoo Jang and his collaborators.

2024

• Kwang Hyun Cho, Seogjoo J. Jang, and Young Min Rhee; “Dynamic embedding of effective harmonic normal mode vibrations in all-atomistic energy gap fluctuations: Case study of light harvesting 2 complex,” Journal of Chemical Physics 160, 184104 (2024).
• Taner M. Ture and Seogjoo J. Jang; “Simple and general unitarity conserving numerical real-time propagators of the time-dependent Schrödinger equation based on Magnus expansion,” Journal of Physical Chemistry A 128, 2871 – 2882 (2024).
• Pablo Ramos, Hannah Friedman, Barry Y. Li, Cesar Garcia, Ellen Sletten, and Seogjoo J. Jang; “Nonadiabatic derivative couplings through multiple Franck-Condon modes dictate the energy gap law for near and short-wave infrared dye molecules,” Journal of Physical Chemistry Letters 15, 1802 – 1810 (2024).

2023

• Won Kyu Kim, Kiri Choi, Changbong Hyeon, and Seogjoo J. Jang; “General Chemical Reaction Network Theory for GPCR-based Olfactory Sensing: Elucidation of Odorant Mixture Effects and Agonist–Synergist Threshold,” Journal of Physical Chemistry Letters 14, 8412 – 8420 (2023)
• Seogjoo J. Jang and Young Min Rhee; “Modified Fermis golden rule rate expressions,” Journal of Chemical Physics 159, 014101(2023)
• Davinder Singh, Seogjoo J. Jang, and Changbong Hyeon; “Fundamental trade-off between the speed of light and the Fano factor of photon current in three-level lambda systems ,” Journal of Physics A: Mathematical and Theoretical 56, 015001 (2023)
• Seogjoo J. Jang; Quantum Mechanics for Chemistry, (DOI: https://doi.org/10.1007/978- 3-031-30218-3; ISBN: 978-3-031-30217-6, 978-3-031-30220-6, 978-3-031-30218-3) (Springer Nature) (2023)

2022

• Seogjoo J. Jang; “Partially polaron-transformed quantum master equation for exciton and charge transport dynamics,” Journal of Chemical Physics 157, 104107 (2022)

2021

• Seogjoo J. Jang, Irene Burghardt, Chao-Ping Hsu, and Christopher J. Bardeen, “Excitons: Energetics and spatiotemporal dynamics,” Journal of Chemical Physics 155, 200401 (2021)
• Seogjoo J. Jang; “A simple generalization of the energy gap law for nonradiative processes,” Journal of Chemical Physics 155, 164106 (2021)
• 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)

2020

• 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)
• 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)
• 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)
• Seogjoo J. Jang; “Dynamics of molecular excitons,” Book in Nanophotonics Series (ISBN: 9780081023358)(Elsevier) (2020)

2019

• 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)
• 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)
• Seogjoo J. Jang, “Effects of donor-acceptor quantum coherence and non-Markovian bath on the distance dependence of resonance energy transfer,” Journal of Physical Chemistry C 123, 5767-5775 (2019)

2018

• 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)
• Seogjoo J. Jang and Benedetta Mennucci, “Delocalized excitons in natural light-harvesting complexes,” Reviews of Modern Physics 90, 035003 (2018)
• Ji Hyun Bak, Seogjoo J. Jang, and Changbong Hyeon “Implications for human odor sensing revealed from the statistics of the odorant-receptor interactions,” PLOS Computational Biology 14, e1006175 (2018)
• 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)

2017

• 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)
• Seogjoo Jang and Changbong Hyeon, “Kinetic model for the activation of mammalian olfactory receptor,” Journal of Physical Chemistry B, 121 1304 (2017)

2016

• Seogjoo Jang, “Generalized quantum Fokker-Planck equation for photo induced nonequilibrium processes with positive definiteness condition,” Journal of Chemical Physics 144, 214102 (2016)
• 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)

2015

• Eric Block, Seogjoo Jang, Victor Batista, and Hanyi Zhuang, “Reply to Turin et al.: Vibrational theory of olfaction is implausible,” Proceedings of the National Academy of Sciences, USA 112, E3155 (2015)
• 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)
• Seogjoo Jang and Andrés 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)
• 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)

2014

• Seogjoo Jang, Stephan Hoyer, Birgitta Whaley, and Graham R. Fleming, “Generalized master equation with non-Markovian multichromophoric Förster resonance energy transfer for modular exciton densities,” Physical Review Letters 113, 188102 (2014)
• Seogjoo Jang, Hoda Hossein-Nejad, and Gregory D. Scholes, “Generalized Förster resonance energy transfer,” in Quantum Eects in Biology (Edited by Masoud Mohseni, Yasser Omar, Gregory Engel and Martin Plenio, Cambridge University Press, Cambridge, UK) (2014)
• Alireza Shabani, Masoud Mohseni, Seogjoo Jang, Akihito Ishizaki, Martin Plenio, Patrick Rebentrost, Alan Aspuru-Guzik, Jianshu Cao, Seth Lloyd, and Robert Silbey, “Open quantum system approaches to biological systems`,” in Quantum Effects in Biology (Edited by Masoud Mohseni, Yasser Omar, Gregory Engel, and Martin Plenio, Cambridge University Press, Cambridge, UK) (2014)
• 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)

2013

• Seogjoo Jang, “Real time quantum dynamics pre-averaged over imaginary time path integral: A formal basis for both Centroid Molecular Dynamics and Ring Polymer Molecular Dynamics,” arXiv: 1308.3805 (2013)
• Seogjoo Jang, “Bridging the gap between coherent and incoherent resonance energy transfer dynamics by quantum master equations in polaron picture” in Ultrafast Molecular Dynamics at the Nanoscale (Edited by Stefan Haacke and Irene Burghardt, Pan Stanford Publishing, Singapore), submitted (2013)
• Seogjoo Jang, Timothy Berkelbach, and David R. Reichman, “Coherent quantum dynamics in donor-bridge-acceptor nonadiabatic processes: Beyond the hopping and super-exchange mechanisms,” New Journal of Physics 15, 105020 (2013)
• Praveen Kumar and Seogjoo Jang, “Emission lineshapes of the B850 band of light-harvesting 2 (LH2) complex in purple bacteria: A second order time-nonlocal quantum master equation approach,” Journal of Chemical Physics 138, 135101 (2013)
• Seogjoo Jang and Yuan-Chung Cheng, “Resonance energy flow dynamics of coherently delocalized excitons in biological and macromolecular systems: Recent theoretical advances and open issues,” Wiley Interdisciplinary Reviews (WIREs) on Computational Molecular Science (Invitational expert review article) 3, 84-104 (2013)

2012

• Seogjoo Jang, “Nonadiabatic quantum Liouville and master equations in the adiabatic basis,” Journal of Chemical Physics (Special Issue on Nonadiabatic Dynamics) 137, 22A536 (2012)
• Lei Yang, Murali Devi, and Seogjoo Jang, “Polaronic quantum master equation theory of inelastic and coherent resonance energy transfer for soft systems” Journal of Chemical Physics 137, 024101 (2012)
• Seogjoo Jang, “Multistep quantum master equation theory for response functions in four wave mixing electronic spectroscopy of multichromophoric macromolecules,” Bulletin of the Korean Chemical Society (Invitational contribution for a special edition) 33, 997 (2012)

2011

• Seogjoo Jang, Robert J. Silbey, Ralf Kunz, Clemens Hofmann, and Jöurgen Köhler, “Is there elliptic distortion in the light harvesting complex 2 of purple bacteria?” Journal of Physical Chemistry B 115, 12947 (2011)
• Paiboon Sreearunothai, Alexis Estrada, Sadayuki Asaoka, Marta Kowalczyk, Seogjoo Jang, Andrew Cook, Jack Preses, and John Miller, “Triplet transport to and trapping by acceptor end groups on conjugated polyfluorene chains,” Journal of Physical Chemistry C 115, 19569 (2011)
• Seogjoo Jang, “Theory of multichromophoric coherent resonance energy transfer: A polaronic quantum master equation approach,” Journal of Chemical Physics, 135, 034105 (2011)

2010

• Lei Yang, Stefano Caprasecca, Benedetta Mennucci, and Seogjoo Jang, “Theoretical investigation of the mechanism and dynamics of intramolecular coherent resonance energy transfer in soft molecules: A case study of dithia-anthracenophane,” Journal of the American Chemical Society 132, 16911 (2010)

2009

• Seogjoo Jang, “Theory of coherent resonance energy transfer for coherent initial condition,” Journal of Chemical Physics 131, 164101 (2009)

2008

• Seogjoo Jang, Yuan-Chung Cheng, David R. Reichman, and Joel D. Eaves, “Theory of coherent resonance energy transfer,” Journal of Chemical Physics 129, 101104 (2008)
• Vijayakumar Ramalingam, Maciej E. Domaradzki, Seogjoo Jang, and Rajeev S. Muthyala, “Carbonyl groups as molecular valves to regulate chloride binding to squaramides,” Organic Letters 10, 3315 (2008)

2007

• Seogjoo Jang, “Generalization of the Förster resonance energy transfer theory for quantum mechanical modulation of the donor-acceptor coupling,” Journal of Chemical Physics 127, 174710 (2007)
• Seogjoo Jang, Marshall D. Newton, and Robert J. Silbey, “Multichromophoric Förster resonance energy transfer from B800 to B850 in the light harvesting complex 2: Evidence for subtle energetic optimization by purple bacteria,” Journal of Physical Chemistry B 111, 6807 (2007)

2006

• Seogjoo Jang and Marshall D. Newton; “Closed form expressions of quantum electron transfer rate based on the stationary phase approximation,” Journal of Physical Chemistry B 110, 18996 (2006)
• Seogjoo Jang; “Path-integral centroid dynamics for general initial conditions: A nonequilibrium projection operator formulation,” Journal of Chemical Physics 124, 064107 (2006)

2005

• Seogjoo Jang and Marshall D. Newton; “Theory of torsional non-Condon electron transfer: A generalized spin-boson Hamiltonian and its nonadiabatic limit solution,” Journal of Chemical Physics 122, 024501 (2005)
• Eitan Geva, Seogjoo Jang, and Gregory A. Voth; “Quantum Rate Theory: A Path Integral Centroid Perspective,” in Encyclopedia of Materials Modeling: Vol. I, Fundamental Models and Methods, S. Yip, Editor (Springer-Verlag, 2005)

2004

• Seogjoo Jang, Marshall D. Newton, and Robert J. Silbey; “Multichromophoric Förster resonance energy transfer,” Physical Review Letters 92, 218301 (2004)

2003

• Seogjoo Jang and Robert J. Silbey; “Single complex line shapes of the B850 band of LH2,” Journal of Chemical Physics 118, 9324 (2003)
• Seogjoo Jang and Robert J. Silbey; “Theory of single molecule line shapes of multichromophoric macromolecules,” Journal of Chemical Physics 118, 9312 (2003)

2002

• Seogjoo Jang and Jianshu Cao ; “Optimal quantum control in dissipative environments : General formalism and perturbative limits,” Laser Control and Manipulation of Molecules (ACS Symposium Series) 821, 132 (2002)
• Seogjoo Jang, Jianshu Cao, and Robert J. Silbey ; “On the temperature dependence of molecular line shapes due to linearly coupled phonon bands,” Journal of Physical Chemistry B 106, 8313 (2002)
• Seogjoo Jang, Jianshu Cao, and Robert J. Silbey ; “Fourth order quantum master equation and its Markovian bath limit,” Journal of Chemical Physics 116, 2705 (2002); 117, 10428 (2002)
• Seogjoo Jang, Younjoon Jung, and Robert J. Silbey ; “Nonequilibrium generalization of Förster- Dexter theory for excitation energy transfer,” Chemical Physics 275, 319 (2002)

2001

• Seogjoo Jang, Soonmin Jang, and Gregory A. Voth ; “Applications of higher order composite factorization schemes in imaginary time path integral simulations,” Journal of Chemical Physics 115, 7832 (2001)
• Seogjoo Jang, Sara E. Dempster, and Robert J. Silbey ; “Characterization of the static disorder in the B850 band of LH2,” Journal of Physical Chemistry B 105, 6655 (2001)
• Sara E. Dempster, Seogjoo Jang, and Robert J. Silbey ; “Single molecule spectroscopy of disordered circular aggregates: A perturbation analysis,” Journal of Chemical Physics 114, 10015 (2001)
• Seogjoo Jang and Jianshu Cao ; “Nonadiabatic instanton calculation of multistate electron transfer reaction rate: Interference effects in three and four states systems,” Journal of Chemical Physics 114, 9959 (2001)

2000

• David R. Reichman, Pierre-Nicholas Roy, Seogjoo Jang, and Gregory A. Voth ; “A Feynman path centroid dynamics approach for the computation of time correlation functions involving nonlinear operators,” Journal of Chemical Physics 113, 919 (2000)
• Seogjoo Jang and Gregory A. Voth ; “A relationship between centroid dynamics and path integral quantum transition state theory,” Journal of Chemical Physics 112, 8747 (2000)

1999

• Seogjoo Jang, Charles D. Schwieters, and Gregory A. Voth ; “A modication of path integral quantum transition state theory for asymmetric and metastable potentials,” Journal of Physical Chemistry A 103, 9527 (1999)
• Soonmin Jang, Seogjoo Jang, and Gregory A. Voth ; “Quantum molecular dynamics simulations of low-temperature high energy density matter : Solid p .. H2=Li and p .. H2=B,” Journal of Physical Chemistry A 103, 9512 (1999)
• Pierre-Nicholas Roy, Seogjoo Jang, and Gregory A. Voth ; “Feynman path centroid dynamics for Fermi-Dirac statistics,” Journal of Chemical Physics 111, 5303 (1999)
• Seogjoo Jang and Gregory A. Voth ; “A derivation of centroid molecular dynamics and other approximate time evolution methods for path integral centroid variables,” Journal of Chemical Physics 111, 2371 (1999)
• Seogjoo Jang and Gregory A. Voth ; “Path integral centroid variables and the formulation of their exact real time dynamics,” Journal of Chemical Physics 111, 2357 (1999)
• Seogjoo Jang and Gregory A. Voth ; “Response to Comment on Simple reversible Molecular Dynamics algorithms for Nos&eactue;-Hoover chain dynamics,” Journal of Chemical Physics 110, 3626 (1999)

1998

• Seogjoo Jang and Gregory A. Voth ; “Lithium impurity recombination in solid para-hydrogen: A path integral quantum transition state theory study,” Journal of Chemical Physics 108, 4098 (1998)

1997

• Seogjoo Jang and Gregory A. Voth ; “Simple reversible Molecular Dynamics algorithms for Nosé-Hoover chain dynamics,” Journal of Chemical Physics 107, 9514 (1997)

1995

• Seogjoo Jang, Kook Joe Shin, and Sangyoub Lee ; “Effects of excitation migration and translational diffusion in the luminescence quenching dynamics,” Journal of Chemical Physics 102, 815 (1995)