List of Publications

Journal Papers

  1. M.T. Wong, and Y.-C. Cheng, “A quantum Langevin equation approach for two-dimensional electronic spectraof coupled vibrational and electronic dynamics” J. Chem. Phys. 154, 154107 (2021)[link][pdf]
  2. S.-H. Yeh, A. Manjanath, Y.-C. Cheng, J.-D. Chai, and C.-P. Hsu, “Excitation energies from thermally assisted-occupation density functional theory : Theory and computational implementation” J. Chem. Phys. 153, 084120 (2020). [link][pdf]
  3. S.-C. Wang, K.-Y. Cheng, J.-H. Fu, Y.-C. Cheng, and Y.-T. Chan, “Conformational Regulation of Multivalent Terpyridine Ligands for Self-Assembly of Heteroleptic Metallo-Supramolecules” J. Am. Chem. Soc. 2020, 142, 39, 16661–16667. [link][pdf]
  4. Y.-J. Zhong, C.-F. Lan, B.-C. Lin, C.-D. Hu, Y.-C. Cheng, C.-P. Hsu, “The anisotropy and temperature dependence in the mobility of rubrene” Adv. Quantum. Chem. 2020, 81, 219-241. [link]
  5. W.-C. Chen and Y.-C. Cheng, “Elucidating the Magnitude of Internal Reorganization Energy of Molecular Excited States from the Perspective of Transition Density” J. Phys. Chem. A (2020) [link][pdf]
  6. T.H. Mansoure, H. Ayalew, W.-L. Kao, J.-J Shyue, S.-C. Luo, Y.-C. Cheng, H.-H Yu, “Perfluoro-Functionalized Conducting Polymers Enhance Electrocatalytic Oxygen Reduction“ CS Appl. Energy Mater. 2020, 3, 1, 1171-1180 [link][pdf]
  7. H.-H. Teh, B.-Y. Jin, and Y.-C. Cheng, “Frozen-mode small polaron quantum master equation with
    variational bound for excitation energy transfer in molecular aggregates” J. Chem. Phys., 150, 224110 (2019) [link] [pdf]
  8. Y.-C. Huang and Y.-C. Cheng, “C-N Bond Rotation Controls Photoinduced Electron Transfer in an
    Aminostyrene-Stilbene Donor-Acceptor System” J. Phys. Chem. A, 123, 4333 (2019) [link][pdf]
  9. W.-C. Chen, P.-T. Chou, and Y.-C. Cheng, “Low Internal Reorganization Energy of the Metal-Metalto-Ligand Charge Transfer Emission in Dimeric Pt(II) Complexes” J. Phys. Chem. C, 123, 10225
    (2019).[link][pdf]
  10. Shou-Ting Hsieh, Lu Zhang, De-Wei Ye, Xuhui Huang and Yuan-Chung Cheng, “A theoretical study on the dynamics of light harvesting in the dimeric photosystem II core complex: regulation and robustness of energy transfer pathways” Faraday Discuss. (2019). [link][pdf]
  11. P.-J. Wu, Y.-F. Wang, W.-C. Chen, C.-W. Wang, Joy Cheng, Vencent Chang, C.-Y. Chang, John Lin, Y.-C. Cheng, “Nanoscale inhomogeneity and photoacid generation dynamics in extreme ultraviolet resist materials.”, Proc. SPIE 10586, Advances in Patterning Materials and Processes XXXV, [link][pdf]
    105861O (March 2018); doi: 10.1117/12.2316308. (SPIE Advanced Lithography 2018 Jeffrey Byers Memorial Award)
  12. B.-X. Wang, M.-J. Tao, Q. Ai, T. Xin, N. Lambert, D. Ruan, Y.-C. Cheng, F. Nori, F.-G. Deng, and G.-L. Long, “Efficient quantum simulation of photosynthetic light harvesting” Npj Quantum Information 4, 52 (2018).[link][pdf]
  13. Mani Ramanathan, Yu-Hao Wang, Yi-Hung Liu, Shie-Ming Peng, Yuan-Chung Cheng, and Shiuh-Tzung Liu, “Preparation of Ketimines from Aryldiazonium Salts, Arenes, and Nitriles via Intermolecular Arylation of N-Arylnitrilium Ions” J. Org. Chem., 83 , 6133 (2018). [link][PDF]
  14. Yu-Fu Wang and Yuan-Chung Cheng, “Molecular electrostatic potential on the proton-donating atom as a theoretical descriptor of excited state acidity” Phys. Chem. Chem. Phys., 20, 4351 (2018). [link][pdf]
  15. Kuo-Hsuan Yu, Shou-Ling Huang, Yi-Hung Liu, Yu Wang, Shiuh-Tzung Liu, Yuan-Chung Cheng, Ya-Fan Lin and Jwu-Ting Chen, “Kinetics, Mechanism and Theoretical Studies of Norbornene-Ethylene Alternating Copolymerization Catalyzed by Organopalladium(II) Complexes Bearing Hemilabile α-Amino–pyridine” Molecules, 22, 1095 (2017). [link][pdf]
  16. Jin Feng, Chi-Wei Tseng, Tingwei Chen, Xia Leng, Huabing Yin, Yuan-Chung Cheng, Michael Rohlfing, and Yuchen Macorresponding, “A new energy transfer channel from carotenoids to chlorophylls in purple bacteria” Nat. Commun. , 8, 71 (2017). [link][pdf]
  17. Meng-Shiue Tsai, Chun-Lin Ou, Chi-Jui Tsai, Yen-Chin Huang, Yuan-Chung Cheng, Shih-Sheng Sun, and Jye-Shane Yang, “ Fluorescence Enhancement of Unconstrained GFP Chromophore Analogues Based on the Push–Pull Substituent Effect” J. Org. Chem., 82 , 8031 (2017). [link][pdf]
  18. Hung-Hsuan Teh and Yuan-Chung Cheng, “On the accuracy of the LSC-IVR approach for excitation energy transfer in molecular aggregates” J. Chem. Phys., 146, 144105 (2017). [link][pdf]
  19. Ming-Jie Tao, Qing Ai, Fu-Guo Deng and Yuan-Chung Cheng, “Proposal for probing energy transfer pathway by single-molecule pump-dump experiment” Sci. Rep., 6, 27535 (2016). [link][pdf]
  20. Hong-Bin Chen, Neill Lambert, Yuan-Chung Cheng, Yueh-Nan Chen and Franco Nori, “Using non-Markovian measures to evaluate quantum master equations for photosynthesis” Sci. Rep., 5, 12753 (2015). [link][pdf]
  21. C.-W. Tung, Y.-Y. Hsu, Y.-P. Shen, Y. Zheng, T.-S. Chan, H.-S. Sheu, Y.-C. Cheng, H.-M. Chen,
    “Reversible adapting layer produces robust single-crystal electrocatalyst for oxygen evolution” Nat. Comm., 6, 8106 (2015). [link][pdf]
  22. Y. Chang and Y.C. Cheng, “On the Accuracy of Coherent Modified Redfield Theory in Simulating Excitation Energy Transfer Dynamics” J. Chem. Phys., 142, 034109 (2015). [link, pdf]
  23. Y.-H. Hwang-Fu, W. Chen, Y.C. Cheng, “A Coherent Modified Redfield Theory for Excitation Energy Transfer in Molecular Aggregates” Chem. Phys., 447, 46 (2015). [link, pdf]
  24. S.-C. Luo, Y. Khin, S.-J. Huang, Y. Yang, T.-Y. Hou, Y.C. Cheng, H. M. Chen, Y.-Y. Chin, C.-T. Chen, H.-J. Lin, J. K.-H. Tang, J. C. C. Chan, “Probing the spatial organization of Bacteriochlorophyll c by solid-state nuclear magnetic resonance” Biochemistry, 53, 5515 (2014). [link][pdf]
  25. Y.-H. Ho, M.-C. Chang, K.-H. Yu, Y.-H. Liu, Y. Wang, Y.C. Cheng, J.-T. Chen, “CO2 fixation by dicopper(II) complexes in hypodentate framework of N8O2”, Dalton Trans., 43, 6287 (2014). [link][pdf]
  26. Q. Ai, Y.-J. Fan, B.-Y. Jin, Y.C. Cheng, “An efficient quantum jump method for coherent energy transfer dynamics in photosynthetic systems under the influence of laser fields”, New J. Phys., 16, 053033 (2014). [link, pdf]
  27. H.-T. Chang, P.-P. Zhang, Y.C. Cheng, “Criteria for the accuracy of small polaron quantum master equation in simulating excitation energy transfer dynamics”, J. Chem. Phys., 139, 224112 (2013). [link, pdf]
  28. Q. Ai, T.-C. Yen, B.-Y. Jin, Y.C. Cheng, “Clustered geometries exploiting quantum coherence effects for efficient energy transfer in light harvesting”, J. Phys. Chem. Lett., 4, 2577 (2013). [link, pdf]
  29. C.-K. Lin, Y.-F. Wang, Y.C. Cheng, J.-S. Yang, “Multisite constrained model of trans-4-(N,N-Dimethylamino)-4′-nitrostilbene for structural elucidation of radiative and nonradiative excited states”, J. Phys. Chem. A, 117, 3158 (2013). [link, pdf]
  30. S.J. Jang, Y.C. Cheng, “Resonance energy flow dynamics of coherently delocalized excitons in biological and macromolecular systems: Recent theoretical advances and open issues”, WIREs Computat. Mol. Sci., 3, 84 (2013). [link, pdf]
  31. N. Lambert, Y.-N. Chen, Y.C. Cheng, C.-M. Li, G.-Y. Chen, F. Nori, “Quantum biology”, Nat. Phys., 9, 10 (2013). [link, pdf]
  32. H.-T. Chang, Y.C. Cheng, “Coherent versus Incoherent Excitation Energy Transfer in Molecular Systems”, J. Chem. Phys., 137, 165103 (2012). [link, pdf]
  33. N. Lambert, Y.-N. Chen, Y.C. Cheng, C.-M. Li, G.-Y. Chen, F. Nori, “Functional quantum biology in photosynthesis and magnetoreception”, arXiv:1205.0883v1 (2012). This work was reported in News of Technology Review published by MIT: “The
    Quantum Biology Conundrum”
  34. N.S. Ginsberg, J.A. Davis, M. Ballottari, Y.C. Cheng, R. Bassi, G.R. Fleming, “Solving structure in the CP29 light harvesting complex with polarization-phased 2D electronic spectroscopy”, Proc. Nat. Acad. Sci. U.S.A., 108, 3848 (2011). [link, pdf]
  35. M. Sarovar, Y.C. Cheng, K.B. Whaley, “Environmental correlation effects on excitation energy transfer in photosynthetic light harvesting”, Phys. Rev. E, 83, 011906 (2011). [link, pdf]
  36. T. Calhoun, N. Ginsberg, G. Schlau-Cohen, Y.C. Cheng, M. Ballottari, R. Bassi, G.R. Fleming, “Quantum Coherence Enabled Determination of the Energy Landscape in Light Harvesting Complex II.”, J. Phys. Chem. B, 113, 16291 (2009). [link, pdf]
  37. N.S. Ginsberg, Y.C. Cheng, and G.R. Fleming, “Two-Dimensional Electronic Spectroscopy of Molecular Aggregates.”, Accounts of Chemical Research, 42, 1352 (2009) [link, pdf]
  38. Y.C. Cheng and G.R. Fleming, “Dynamics of light harvesting in photosynthesis.”, Annual Review of Physical Chemistry, 60, 242 (2009). [link, pdf]
  39. H. Lee, Y.C. Cheng, and G.R. Fleming, “Quantum coherence accelerating photosynthetic energy transfer.”, In Ultrafast Phenomena XVI, edited by P. Corkum, K. Nelson, E. Riedle, R. Schoenline, S. De Silvestri, (Springer, Berlin 2008), [link]
  40. S. Jang, Y.C. Cheng, D.R. Reichman, and J.D. Eaves, “Theory of coherent resonance energy transfer.”, Journal of Chemical Physics, 129, 101104 (2008). [link, pdf]
  41. Y.C. Cheng, T.K. Ahn, T.J. Avenson, D. Zigmantas, K.K. Niyogi, M. Ballottari, R. Bassi, and G.R. Fleming, “Kinetic modeling of charge-transfer quenching in the CP29 minor complex.”, Journal of Physical Chemistry B, 112, 13418 (2008). [link, pdf]
  42. Y.C. Cheng and R.J. Silbey, “A unified theory for charge-carrier transport in organic crystals.”, Journal of Chemical Physics, 128, 114713 (2008). [link, pdf]
  43. T. Ahn, T.J. Avenson, M. Ballottari, Y.C. Cheng, K.K. Niyogi, R. Bassi, G.R. Fleming, “Architecture of a charge-transfer state regulating light harvesting in a plant antenna protein.”, Science, 320, 794 (2008). [link, pdf]
  44. Y.C. Cheng and G.R. Fleming, “Coherence quantum beats in two-dimensional electronic spectroscopy.”, Journal of Physical Chemistry A, 112, 4254 (2008). [link, pdf]
  45. Y.C. Cheng, G.S. Engel, and G.R. Fleming, “Elucidation of population and coherence dynamics using cross-peaks in two-dimensional electronic spectroscopy”, Chemical Physics, 341, 285 (2007). [link, pdf]
  46. Y.C. Cheng, H. Lee, and G.R. Fleming, “Efficient simulation of three-pulse photon-echo signals with application to the determination of electronic coupling in a bacterial photosynthetic reaction center.”, Journal of Physical Chemistry A, 111, 9499 (2007). [link, pdf]
  47. H. Lee, Y.C. Cheng, and G.R. Fleming, “Coherence dynamics in photosynthesis: protein protection of excitonic coherence.”, Science, 316, 1462 (2007). [link, pdf]
  48. G.S. Engel, T.R. Calhoun, E.L. Read, T.K. Ahn, T. Mancal, Y.C. Cheng, R.E. Blankenship, and G.R. Fleming, “Evidence for wavelike energy transfer through quantum coherence in photosynthetic systems.”, Nature, 446, 782 (2007). [link, pdf]
  49. Y.C. Cheng and R.J. Silbey, “Coherence in the B800 ring of purple bacteria LH2.”, Physical Review Letters, 96, 028103 (2006). [link, pdf]
  50. Y.C. Cheng and R.J. Silbey, “Markovian approximation in the relaxation of quantum open systems.”, Journal of Physical Chemistry B, 109, 21399 (2005). [link, pdf]
  51. Y.C. Cheng and R.J. Silbey, “A microscopic quantum dynamics study on the noise threshold of fault-tolerant quantum error correction.”, Physical Review A, 72, 012320 (2005). [link, pdf]
  52. Y.C. Cheng and R.J. Silbey, “Stochastic Liouville equation approach for the effect of noise in quantum computations.”, Physical Review A, 69, 052325 (2004). [link, pdf]
  53. E. Barkai and Y.C. Cheng, “Aging continuous time random walks.”, Journal of Chemical Physics, 118, 6167 (2003). [link, pdf]
  54. Y.C. Cheng, R.J. Silbey, D.A. da Silva, J.P. Calbert, J. Cornil, and J.L. Bredas, “Three-dimensional band structure and bandlike mobility in oligoacene single crystals: a theoretical investigation.”, Journal of Chemical Physics, 118, 3764 (2003). [link, pdf]
  55. Y.C. Cheng, Y.K. Chen, T.M. Huang, C.I. Yu, G.H. Lee, Y. Wang, J.T. Chen, “Synthesis of metallacyclobutenes of late transition metals via nucleophilic addition of allenyl or propargyl complexes.”, Organometallics, 17, 2953 (1998). [link, pdf]

Conference Proceedings

  • T.C. Yen and Y.C. Cheng, “Electronic coherence effects in photosynthetic light harvesting.”, In 22nd Solvay Conference on Chemistry, Procedia Chemistry, 3, 211 (2011). [pdf]
  • G.R. Fleming, G.D. Scholes, and Y.C. Cheng, “Quantum effects in biology.”, In 22nd Solvay Conference on Chemistry, Procedia Chemistry, 3, 38 (2011). [pdf]
  • H. Lee, Y.C. Cheng, and G.R. Fleming, “Quantum coherence accelerating photosynthetic energy transfer.”, In Ultrafast Phenomena XVI, edited by P. Corkum, K. Nelson, E. Riedle, R. Schoenline, S. De Silvestri, (Springer, Berlin 2008).