Welcome to NTU Chemistry Department

Jin, Bih-Yaw
Jin, Bih-Yaw

Physical and Theoretical Chemistry

Room B377, Chemistry Building
Tel: +886-2-3366-1165
Fax: +886-2-2789-8654

Research Interests

  • Quantum Molecular Processes in Condensed Matter
  • Theoretical Study of Electronic Processes in Conjugated Organic Molecular and Polymeric Systems
  • Linear and Nonlinear Optical Properties of Organic Materials
  • Quantum Chemical Investigation of Molecular Device
  • Designing Molecular Sculptures with Mathematical Beading. (http://thebeadedmolecules.blogspot.com/)

Honors and Awards

  • National Taiwan University College of Science Award for Outstanding Teaching, 2001.
  • National Taiwan University Award for Outstanding Teaching, 2002, 2003.
  • National Taiwan University Award for Teaching Excellence, 2004.


  • B.S., 1985, National Taiwan University.
  • Ph.D., 1993, Massachusetts Institute of Technology.
  • 1994–present, National Taiwan University.

Research Pictures

Jin, Bih-Yaw

Selected Publication

  1. Katz, Eugene A.; Jin, Bih-Yaw “Fullerenes, Polyhedra and Chinese Guardian Lions”, Mathematical Intelligencer, 2016.
  2. Varadwaj Pradeep R.; Varadwaj, Arpita; Jin, Bih-Yaw, “Can an entirely negative fluorine in a molecule, viz. perfluorobenzene, interact attractively with the entirely negative site(s) on another molecule(s)? Like liking like!”, RSC Advances, 2016, 6, 19098-19110.
  3. Ting, T.-C.; Hsu, L.-Y.; Huang, M.-J.; Horng, H.-C.; Lu, H.-C.; Hsu, C.-H.; Jiang, C.-H.; Jin, B.-Y.*; Peng, S.-M.*; Chen, C.-h.* “Energy-Level Alignment for Single-Molecule Conductance of Extended Metal-Atom Chains”, Angew Chem. 2015, 127, 15960–15964.
  4. Varadwaj, Pradeep R.; Varadwaj, Arpita; Jin, Bih-Yaw “Hexahalogenated and their Mixed Benzene Derivatives as Prototypes for Understanding Halogen···Halogen Intramolecular Interactions: New Insights from Combined DFT, QTAIM- and RDG-Based NCI analyses”, J. Comp. Chem. 2015, 36, 2328-2343.
  5. Guan, Jie; Jin, Zhongqi; Chuang, Chern; Jin, Bih-Yaw; Tomanek, David, “Local Curvature and stability of two-dimensional systems”, Phys. Rev. B. 2014, 90, 245403.
  6. Chang, Yao-Wen; Jin, B.-Y. “Theory of Charge Transport Through Molecular Junctions: From Coulomb Blockade to Coherent Tunneling” J. Chem. Phys. 2014, 141, 064111.
  7. Shen, Yao; Ko, Hsin-Yu; Ai, Qing; Peng, Shi-Ming; Jin, Bih-Yaw “Molecular Split-Ring Resonators Based on Metal String Complexes” J. Phys. Chem. C. 2014, 118, 3766–3773.
  8. Shen, Yao; Jin, Bih-Yaw “Correspondence Between Gentile Oscillators and N-Annulenes” J. Phys. Chem. A. 2013, 117, 12540–12545.
  9. Chang, Y.-W.; Jin, B.-Y. “Self-Interaction Correction to GW Approximation” Physica Scripta 2012, 86, 065301.
  10. Chuang, C.; Jin, B. -Y.*; Tsoo, C.-C.; Tang, Nathalie Y.-W.; Cheung, Monica P. -S. “Molecular Modeling of Fullerenes with Beads” J. Chem. Edu. 2012, 89 , 414–416.
  11. C.; Jin, B.-Y.*; Tsoo, C.-C. “Designing Sculptures Inspired by Symmetric High-Genus Fullerenes with Mathematical Beading” Proceedings of Bridges: Mathematics, Music, Art, Architecture, Culture 2011, 523–526.
  12. Hsu, L.-Y.; Tsai, T.-W.; Jin, B.-Y.*“Transport Through a Mixed-Valence Molecular Transistor in the Sequential Tunneling Regime: Theoretical Insight from the Two-Site Peierls-Hubbard Model.”J. Chem. Phys. 2010, 133, 144705.
  13. Lin, H.-C.; Jin, B.-Y.* “Charge-Transfer Interactions in Organic Functional Materials” Materials 2010, 3, 4214–4251.
  14. Chuang, C.; Fan, Y.-C.; Jin, B.-Y.* “Generalized Classification of Toroidal and Helical Carbon Nanotubes ” J. Chem. Info. Model. 2009, 49, 361–368.
  15. Chou, C.-C.; Jin, B.-Y.* “Vibrational Contributions to Nonlinear Optical Polarizabilities: from Two-Level to Two-Band Systems” Theo. Chem. Acc. 2009, 122, 313–324.
  16. Hsu, L.-Y.; Huang, Q.-R.; Jin, B.-Y.* “Charge Transport Through a Single Molecular Wire Based on Linear Multimetal Complexes: A Non-Equilibrium Green’s Function Approach” J. Phys. Chem. C 2008, 112, 10538–10541.


Department of Chemistry, National Taiwan University
Address: No. 1, Sec. 4, Roosevelt Road, Taipei, 10617 Taiwan(R.O.C.) Phone: +886-2-3366-1138~41 Fax: +886-2-3366-8671
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