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Department of Chemistry


CHENG, Yuan-Chung

CHENG, Yuan-Chung
Room B376, Chemistry Building
Fax: +886-2-3366-8671
Research Interest

  • Developing theories for quantum dynamics in condensed-phase molecular systems for the studies of excitation energy transfer and charge transfer in photosynthetic light reactions and molecular photochemical reactions in solutions.

  • Applying quantum chemical calculations and molecular dynamics simulations to investigate electronic structures and photophysical phenomena of novel nanomaterials and to develop multiscale simulation methods applicable to studies of properties of organic optoelectronic materials. 

  • Investigating molecular excited-state chemical dynamics and theories for time-resolved nonlinear spectroscopy.

Career and Service Experiences

  • B.S., 1995, Department of Chemistry, National Taiwan University.

  • M.S., 1997, Department of Chemistry, National Taiwan University.

  • Ph.D., 2006, Department of Chemistry, Massachusetts Institute of Technology.

  • Postdoctoral Fellow, 2006-2009, U.C. Berkeley.

  • Assistant Professor, 2009-2014; Associate Professor, 2014-2020; Professor, 2020-present, Department of Chemistry, National Taiwan University.

Honors and Awards

  • 2020 Outstanding Teaching Award for English as a Medium of Instruction, National Taiwan University

  • 2015 Outstanding Teaching Award, National Taiwan University

  • 2013 Promising Scientist Award of CMOA (Centre de Mécanique Ondulatoire Appliquée)

  • 2011-2014 Excellence in Teaching Award, National Taiwan University

  • 2011 The Distinguished Lectureship Award of the CSJ (Chemical Society of Japan) Asian International Symposium

Research Content
Selected Publications

  1. M.T. Wong and Y.C. Cheng, “A quantum Langevin equation approach for two-dimensional electronic spectra of coupled vibrational and electronic dynamics" J. Chem. Phys., 154, 154107 (2021).

  2. 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, 124, 7644 (2020).

  3. 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).

  4. S.-T. Hsieh, L. Zhang, D.-W. Ye, X. Huang, and Y.C. Cheng, “A theoretical study on the dynamics of light harvesting in the dimeric photosystem II core complex” Faraday Discuss. 216, 94 (2019).

  5. Y.-F. Wang, Cheng and Y.C. Cheng, “Molecular electrostatic potential on the proton-donating atom as a theoretical descriptor of excited state acidity” Phys. Chem. Chem. Phys., 20, 4351 (2018).

  6. H.-H. Teh and Y.C. Cheng, “On the accuracy of the LSC-IVR approach for excitation energy transfer in molecular aggregates” J. Chem. Phys., 146, 144105 (2017).

  7. H.-B. Chen, N. Lambert, Y.C. Cheng, Y.-N. Chen, F. Nori, “Using non-Markovian measures to evaluate quantum master equations for photosynthesis” Sci. Rep., 5, 12753 (2015).

  8. 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).

  9. 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).

  10. 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).

  11. 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).

  12. 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).

  13. 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).

  14. 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).

  15. N.Lambert, Y.-N. Chen, Y.C. Cheng, C.-M. Li, G.-Y. Chen, F. Nori, “Quantum biology”, Nat. Phys., 9, 10 (2013).

  16. H.-T. Chang, Y.C. Cheng, “Coherent versus incoherent excitation energy transfer in molecular systems”, J. Chem. Phys., 137, 165103 (2012).

  17. 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).

Update: 2022-01-26