Hsu, Chao-Ping

Theoretical Chemistry

Hsu, Chao-Ping (許昭萍)

    886-2-27898658
    886-2-27831237
    cherri
    Hsu, Chao-Ping 's Lab
Research Fellow (2013-);Associate Research Fellow (2007-2013);Assistant Research Fellow (2002~2007);B.S., National Taiwan University (1990);M.S., National Taiwan University (1992);Ph.D., California Institute of Technology (1997);Miller Research Fellow, University of California at Berkeley (1998~2001);Heritage Prize from the Li Foundation (2002);Wu Ta-You Memorial Award National Science Council (2008);Junior Researcher Award, Academia Sinica (2009);Pople Medal, Asia-Pacific Association of Theoretical & Computational Chemists (2010);Outstanding Young Scholar Award from Shui-Mu Foundation of Chemistry (2011);Outstanding Research Award from the National Science Council(2011) ;
Research Interests

Charge transport and energy transfer in advanced materials

In recent years, researches focusing on advanced materials and on molecular level of understanding in biological systems have attracted a lot of attention.One class of important reactions in these areas is the electron transfer (ET) process. Understanding of the corresponding electronic coupling becomes important since the coupling is an important parameter in the ET rate expression in the weak-coupling limit. Theoretical determination of ET coupling does not only provide a route to deeply understand the ET process, but also offers crucial hints to the designing of new functional molecules.

Electronic coupling is an important factor in the ET rate constant, in the weak-coupling limit.We have developed several new methods in calculating ET coupling and applied them to functional organic molecules.Besides we are also interested in excitation energy transfer (EET), where excitation energy between two molecules/fragments is exchanged.The singlet-singlet EET is widely known as Forster’s dipole-dipole interaction.We have recently studied the triplet-triplet EET, which is similar to the Dexter’s exchange coupling.For the first time, ab initio triplet-triplet exchange coupling is calculated and reported.Our results offers the basis to understand previous experimental observation without additional mechanisms.

Dynamic description of biological systems

With our experiences in computational chemistry, we have developed tools for simulating and describing molecular biology at the systems level.By cooperating with experimentalists, we offer conclusions derived from mathematics and computer simulations, and therefore the understanding of biological problems is enhanced.



Selected Publications
  1. Chepyala, S. R.; Chen, Y.-C.; Yan, C. C.-S.; Lu, C.-Y. D.; Wu, Y.-C.; Hsu, C.-P. Noise propagation with interlinked feed-forward pathways. Scientific Reports (accepted for publication).
  2. Chou, H.-H.; Reddy, K. S. K.; Wu, H.-P.; Guo, B.-C.; Lee, H.-W.; Diau, E. W.-G.; Hsu, C.-P.; Yeh, C.-Y. Influence of Phenylethynylene of Push-Pull Zinc Porphyrins on the Photovoltaic Performance. ACS Appl. Mater. Interfaces 2016, 8, 3418.
  3. Fliegl, H.; You, Z.-Q.; Hsu, C.-P.; Sundholm, D. The Excitation Spectra of Naphthalene Dimers: Frenkel and Charge-transfer Excitons. J. Chin. Chem. Soc. 2016, 63, 20.
  4. Wu, T.-L.; Kuo, C.-H.; Lin, B.-C.; Tao, Y.-T.; Hsu, C.-P.; Liu, R.-S. Synthesis of planar dibenzo[de,op]bistetracene derivatives for organic field-effect transistor applications: substituent effect on crystal packing and charge transport property. J. Mster. Chem. C 2015, 3, 7583.
  5. You, Z.-Q.; Hung, Y.-C.; Hsu, C.-P. Calculating Electron-Transfer Coupling with Density Functional Theory: The Long-Range-Corrected Density Functionals. J. Phys. Chem. B 2015, 119, 7480.
  6. Hsu, Y.-C.; Shen, J.-S.; Lin, B.-C.; Chen, W.-C.; Chan, Y.-T.; Ching, W.-M.; Yap, G. P. A.; Hsu, C.-P.; Ong, T.-G. Synthesis and Isolation of an Acyclic Tridentate Bis (pyridine) carbodicarbene and Studies on Its Structural Implications and Reactivities. Angew. Chem. 2015, 127, 2450.
  7. Yang, C.-H.; Hsu, C.-P. First-Principle Characterization for Singlet Fission Couplings. J. Phys. Chem. Lett. 2015, 6, 1925.
  8. Williams, R. M.; Brouwer, A. M.; Chen, H.-C.; Hsu, C.-P.; Reek, J. N. H. Highly Soluble Benzo[ghi]perylenetriimide Derivatives: Stable and Air-Insensitive Electron Acceptors for Artificial Photosynthesis. ChemSusChem 2015, 8, 3639.
  9. Shao, Y.; Hsu, C.-P.; Gill P. M. H. et al. Advances in molecular quantum chemistry contained in the Q-Chem 4 program package. Mol. Phys. 2015, 113(2), 184.
  10. Lin, B.-C.; Koo, B. T.; Clancy P.; Hsu, C.-P. Theoretical Investigation of Charge-Transfer Processes at Pentacene–C60 Interface: The Importance of Triplet Charge Separation and Marcus Electron Transfer Theory. J. Phys. Chem. C 2014, 118 (41), 23605.
  11. Hsu,Y.‐C.; Shen J.-S; Lin, B.-C.; Chen W.‐C.; Chan Y.‐T.; Ching W.‐M.; Yap,G.; Hsu, C.-P.; Ong,T.‐G. Synthesis and Isolation of an Acyclic Tridentate Bis (pyridine) carbodicarbene and Studies on Its Structural Implications and Reactivities. Angew. Chem. Int. Ed. 2014, 126, 1.
  12. Chen, W.-C.; Lee, C.-Y.; Lin, B.-C.; Hsu, Y.-C.; Shen, J.-S.; Hsu, C.-P.; Yap, G. P. A.; Ong, T.-G. The Elusive Three-Coordinate Dicationic Hydrido Boron Complex. J. Am. Chem. Soc. 2014, 136(3), 914
  13. You, Z.-Q.; Hsu, C.-P. Theory and Calculation for the Electronic Coupling in Excitation Energy Transfer. Int. J. Quan. Chem. 2014, 114(2), 102.
  14. Yan, C.-C. S.; Hsu, C.-P. The Fluctuation-dissipation Theorem for Stochastic Kinetics-Implications on Genetic Regulations. J. Chem. Phys 2013, 139, 224109.
  15. Yang, C.-H.; Hsu, C.-P. A Multi-state Fragment Charge Difference Approach for Diabatic States in Electron Transfer: Extension and Automation. J. Chem. Phys 2013, 139, 154104.
  16. Liu, K.-L.; Lee, S.-J.; Chen, I. C.; Hsu, C.-P.; Chen, C.-H.; Luh, T.-Y. Ultrafast Energy Transfer in Divinylbiphenyl and Divinylstilbene Copolymers Bridged by Silylene. J. Phys. Chem. C 2013, 117, 64. 
  17. Hsu, J. C. C.; Chen, E. H. L.; Snoeberger, R. C.; Luh, F. Y.; Lim, T. S.; Hsu, C.-P.; Chen, R. P. Y. Thioflavin T and Its Photoirradiative Derivatives: Exploring Their Spectroscopic Properties in the Absence and Presence of Amyloid Fibrils. J. Phys. Chem. B 2013, 117, 3459.
  18. Simokaitiene, J.; Stanislovaityte, E.; Grazulevicius, J. V.; Jankauskas, V.; Gu, R.; Dehaen, W.; Hung, Y.-C.; Hsu, C.-P. Synthesis and Properties of Methoxyphenyl-Substituted Derivatives of Indolo[3,2-b]carbazole. J. Org. Chem. 2012, 77, 4924.
  19. You, Z.-Q.; Hsu, C.-P. Ab Inito Study on Triplet Excitation Energy Transfer in Photosynthetic Light-Harvesting Complexes. J. Phys. Chem. A 2011, 115, 4092.
  20. Sakalyte, A.; Simokaitiene, J.; Tomkeviciene, A.; Keruckas, J.; Buika, G.; Grazulevicius, J. V.; Jankauskas, V.; Hsu, C.-P.; Yang, C.-H. Effect of Methoxy Substituents on the Properties of the Derivatives of Carbazole and Diphenylamine. J. Phys. Chem. C 2011, 115, 4856.
  21. Kao, M.-T.; Chen, J.-H.; Chu, Y.-Y.; Tseng, K.-P.; Hsu, C.-H.; Wong, K.-T.; Chang, C.-W.; Hsu, C.-P.; Liu, Y.-H. Facile Synthesis of 5,10,15-Hexaaryl Truxenes: Structure and Properties. Org. Lett. 2011, 13, 1714.
  22. Lin, B.-C.; Cheng, C.-P.; You, Z.-Q.; Hsu, C.-P. The role of CH-π interaction in the charge transfer properties in tris(8-Hydroxyquinolinato)aluminium(III). PCCP, 2011, 13, 20704.
  23. You, Z.-Q.; Hsu, C.-P. The fragment spin difference scheme for triplet-triplet energy transfer coupling. J. Chem. Phys. 2010, 133, 074105.
  24. Liu, K.-L.; Lee, S.-J.; Chen, I.-C.; Hsu, C.-P.; Yeh; M.-Y. Luh, T.-Y. Ultrafast Energy Transfer in a Regioregular Silylene-Spaced Copolymer. J. Phys. Chem. C 2010, 114, 13909.
  25. Chen, C.-H.; Hsu, Y.-C.; Chou, H.-H.; Thomas, K. R. J.; Lin, J. T.; Hsu, C.-P. Dipolar Compounds Containing Fluorene and a Heteroaromatic Ring as the Conjugating Bridge for High-Performance Dye-Sensitized Solar Cells. Chem. Euro. J. 2010, 16, 3184.
  26. Velusamy, M.; Hsu, Y.-C.; Lin, J. T.; Chang, C.-W.; Hsu, C.-P. 1-Alkyl-1H-imidazole-Based Dipolar Organic Compounds for Dye-Sensitized Solar Cells. Chem. Asian J. 2010, 5, 87.

Update: 2016-04-11

Journal Paper
  1. Hsien-Hsin Chou, Chou-Hsun Yang, Jiann T'suen Lin*, Chao-Ping Hsu* First-principle Determination of Electronic Coupling and Prediction of Charge Recombination Rates in Dye-sensitized Solar Cells. The Journal of Physical Chemistry C 2017-01121 (2), 983-992.
  2. Shruti Mendiratta, Muhammad Usman, Chun-Chi Chang, Yung-Chi Lee, Jenq-Wei Chen, Maw-Kuen Wu, Ying-Chih Lin*, Chao-Ping Hsu*, Kuang-Lieh Lu* Zn (ii)-based metal–organic framework: an exceptionally thermally stable, guest-free low dielectric material. Journal of Materials Chemistry C 2017-015, 1508-1513.
  3. Wu, J.-F.; Tsai, H.-L.; Joanito, I.; Wu, Y.-C.; Chang, C.-W.; Li, Y.-H.; Wang, Y.; Hong, J. C.; Chu, J.-W.; Hsu, C.-P.; Wu, S.-H.* LWD-TCP complex wakes up the morning gene CCA1 in Arabidopsis. Nature Communications 2016-107, 13181.
  4. Pal, B.; Lin, B.-C.; dela Cerna, M. V. C.; Hsu, C.-P.*; Lin, C.-H.* Face-to-Face Packing of 2,3,9,10-Tetrasubstituted Pentacene Derivatives Revealed through a Solid State [4 + 4] Thermal Cycloaddition and Molecular Dynamic Simulation. JOURNAL OF ORGANIC CHEMISTRY 2016-0881(15), 6223–6234.
  5. Li, X.; Che X.; Chen, G.-H.; Zhang, J.; Yan, J.-L; Zhang, Y. F.; Zhang, L. S.; Hsu, C.-P.; Gao, Y. Q.*; Shi, J. J.* Direct Oxidation of Aliphatic CH Bonds in Amino-Containing Molecules under Transition- Metal-Free Conditions . ORGANIC LETTERS 2016-0318 (6), 1234–1237.
  6. Surendhar Reddy Chepyala, Yi-Chen Chen, Ching-Cher Sanders Yan, Chun-Yi David Lu, Yi-Chun Wu*, Chao-Ping Hsu* Noise propagation with interlinked feed-forward pathways. Scientific Reports 2016-036, 23607.
  7. Chou, H.-H.; Reddy, K. S. K.; Wu, H.-P.; Guo, B.-C.; Lee, H.-W.; Diau, E. W.-G.*; Hsu, C.-P.*; Yeh, C.-Y.* Influence of Phenylethynylene of Push-Pull Zinc Porphyrins on the Photovoltaic Performance. ACS Applied Materials & Interfaces 2016-028 (5), 3418–3427.
  8. Fliegl, H.*; You, Z.-Q.; Hsu, C.-P.*; Sundholm, D.* The Excitation Spectra of Naphthalene Dimers: Frenkel and Charge-transfer Excitons . JOURNAL OF THE CHINESE CHEMICAL SOCIETY 2016-0163,20.
  9. René M. Williams and, Albert M. Brouwer* Hung-Cheng Chen, Chao-Ping Hsu*, Joost N. H. Reek* Highly Soluble Benzo[ghi]perylenetriimide Derivatives: Stable and Air-Insensitive Electron Acceptors for Artificial Photosynthesis. ChemSusChem 2015-118(21),3639-3650.
  10. Tien-Lin Wu, Chi-Hsien Kuo, Bo-Chao Lin, Yu-Tai Tao, Chao-Ping Hsu*, Rai-Shung Liu Synthesis of Planar Dibenzo[de, op]bistetracene Derivatives for Organic Field-effect Transistors Applications: Substituent Effect on Crystal Packing and Charge Transport Property. JOURNAL OF MATERIALS CHEMISTRY C 2015-063(29),7583-7588.
  11. Chou-Hsun Yang, Chao-Ping Hsu* First-Principle Characterization for Singlet Fission Couplings. The Journal of Physical Chemistry Letters 2015-056 (10),1925–1929.
  12. Yu‐Chen Hsu, Jiun‐Shian Shen, Bo‐Chao Lin, Wen‐Ching Chen, Yi‐Tsu Chan, Wei‐Min Ching, Glenn Yap, Chao‐Ping Hsu*, Tiow‐Gan Ong* Synthesis and Isolation of an Acyclic Tridentate Bis (pyridine) carbodicarbene and Studies on Its Structural Implications and Reactivities. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 2015-0254(8),2420-2424.
  13. Yihan Shao, Chao-Ping Hsu, Peter M.W. Gill & Martin Head-Gordon* et al. Advances in molecular quantum chemistry contained in the Q-Chem 4 program package. MOLECULAR PHYSICS 2015-01113(2), 184-215.
  14. Zhi-Qiang You , Yi-Chen Hung , and Chao-Ping Hsu* Calculating Electron Transfer Coupling with Density Functional Theory: The Long-Range Corrected Density Functionals . JOURNAL OF PHYSICAL CHEMISTRY B 2015-0119 (24), 7480–7490.
  15. Bo-Chao Lin, Brian T Koo, Paulette Clancy*, Chao-Ping Hsu* Theoretical Investigation of Charge-Transfer Processes at Pentacene–C60 Interface: The Importance of Triplet Charge Separation and Marcus Electron Transfer Theory. The Journal of Physical Chemistry C 2014-10118 (41), 23605–23613.
  16. Wen-Ching Chen, Ching-Yu Lee, Bo-Chao Lin, Yu-Chen Hsu, Jiun-Shian Shen, Chao-Ping Hsu*, Glenn PA Yap, Tiow-Gan Ong* The Elusive Three-Coordinate Dicationic Hydrido Boron Complex. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 2014-01136 (3), 914–917.
  17. Zhi-Qiang You, Chao-Ping Hsu* Theory and Calculation for the Electronic Coupling in Excitation Energy Transfer. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 2014-01114(2), 102-115.
  18. Ching-Cher Sanders Yan, Chao-Ping Hsu* The fluctuation-dissipation theorem for stochastic kinetics implications on genetic regulations. JOURNAL OF CHEMICAL PHYSICS 2013-12139, 224109.
  19. Chou-Hsun Yang, Chao-Ping Hsu* A multi-state fragment charge difference approach for diabatic states in electron transfer: Extension and automation. JOURNAL OF CHEMICAL PHYSICS 2013-10139(15),154104-1~15.
  20. Jack C.-C. Hsu, Eric H.-L. Chen, Robert C. Snoeberger III, Frederick Y. Luh, T.-S. Lim, C.-P. Hsu, Rita P.-Y. Chen* Thioflavin T and its photoirradiative derivatives: exploring their spectroscopic properties in the absence and presence of amyloid fibrils. JOURNAL OF PHYSICAL CHEMISTRY B 2013-03117(13), 3459–3468.
  21. Kuan-Lin Liu, Sheng-Jui Lee, I-Chia Chen*, Chao-Ping Hsu*, Chih-Hsien Chen, Tien-Yau Luh Ultrafast Energy Transfer in Divinylbiphenyl and Divinylstilbene Copolymers Bridged by Silylene. Journal of Physical Chemistry C 2013-01117(1), 64–70.
  22. Jurate Simokaitiene, Egle Stanislovaityte, Juozas V. Grazulevicius*, Vygintas Jankauskas, Rong Gu, Wim Dehaen, Yi-Chen Hung, Chao-Ping Hsu Synthesis and properties of methoxyphenyl-substituted derivatives of indolo[3,2-b]carbazole. JOURNAL OF ORGANIC CHEMISTRY 2012-0677(11), 4924-4931.
  23. Bo-Chao Lin, Cheu-Pyeng Cheng*, Zhi-Qiang You, Chao-Ping Hsu*  The role of CH-π interaction in the charge transfer properties in tris(8-hydroxyquinolinato)aluminum(III). Physical Chemistry Chemical Physics 2011-1213(46), 20704-13.
  24. Zhi-Qiang You,Chao-Ping Hsu* Ab Inito Study on Triplet Excitation Energy Transfer in Photosynthetic Light-Harvesting Com-plexes. Journal Of Physical Chemistry A 2011-04, 115(16):4092-100.
  25. Min-Tzu Kao, Jia-Hong Chen, Ying-Ying Chu, Kuo-Pi Tseng, Chia-Huei Hsu, Ken-Tsung Wong*, Che-Wei Chang, Chao-Ping Hsu*, Yi-Hung Liu Facile Synthesis of 5,10,15-Hexaaryl Truxenes: Structure and Properties. Organic letters 2011-0413(7),1714-1717.
  26. Asta Sakalyte, Jurate Simokaitiene, Ausra Tomkeviciene, Jonas Keruckas, Gintaras Buika, Juozas V. Grazulevicius*, Vygintas Jankauskas, Chao-Ping Hsu, Chou-Hsun Yang Effect of Methoxy Substituents on the Properties of the Derivatives of Carbazole and Diphenylamine. Journal Of Physical Chemistry C 2011-03115 (11),4856–4862.
  27. Kuan-Fu Chen, Che-Wei Chang, Ju-Ling Lin, Ying-Chan Hsu, Ming-Chang P. Yeh*, Chao-Ping Hsu*, Shih-Sheng Sun* Photophysical Studies of Dipolar Organic Dyes that Feature a 1,3-cyclohexadiene Conjugated Linkage: The Implication of a Twisted Intramolecular Charge-Transfer State on the Efficiency of Dye-Sensitized Solar Cells. Chemistry-A European Journal 2010-1116(43), 12873-12882.
  28. Fenglai Liu, Zhengting Gan, Yihan Shao*, Chao-Ping Hsu, Andreas Dreuw, Martin Head-Gordon, Benjamin T. Miller, Bernard R. Brooks, Jian-Guo Yu, Thomas R. Furlani, Jing Kong A Parallel Implementation of the Analytic Nuclear Gradient for Time-Dependent Density Functional Theory within the Tamm-Dancoff Approximation. Molecular Physics 2010-10108(19-20), 2791-2800.
  29. Dibyendu Bhattacharya, Malaichamy Sathiyendiran, Jing-Yun Wu, Che-Hao Chang, Sung-Chou Huang, Yu-Ling Zeng, Ching-Yao Lin, P. Thanasekaran, Bo-Chao Lin, Chao-Ping Hsu, Gene-Hsiang Lee, Shie-Ming Peng, Kuang-Lieh Lu* Quinonoid-Bridged Chair-Shaped Dirhenium(I) Metallacycles: Synthesis, Characterization, and Spectroelectrochemical Studies. Inorganic Chemistry 2010-1049(22), 10264-10272.
  30. Sheng-Jui Lee, Hung-Cheng Chen, Zhi-Qiang You, Kuan-Lin Liu, Tahsin J. Chow, I-Chia Chen*, Chao-Ping Hsu* Theoretical Characterization of Photoinduced Electron Transfer in Rigidly Linked Donor–Acceptor Molecules: The Fragment Charge Difference and the Generalized Mulliken–Hush Schemes. Molecular Physics 2010-10108(19-20), 2775-2789.
  31. Zhi-Qiang You, Chao-Ping Hsu* The Fragment Spin Difference Scheme for Triplet-Triplet Energy Transfer Coupling. Journal Of Chemical Physics 2010-08133(7), 074105.
  32. Kuan-Lin Liu, Sheng-Jui Lee, I-Chia Chen*, Chao-Ping Hsu*, Mei-Yu Yeh, Tien-Yau Luh Ultrafast Energy Transfer in a Regioregular Silylene-Spaced Copolymer. Journal Of Physical Chemistry C 2010-08114(32), 13909–13916.
  33. Chih-Hsin Chen, Ying-Chan Hsu, Hsien-Hsin Chou, K. R. Justin Thomas, Jiann T. Lin*, Chao-Ping Hsu Dipolar Compounds Containing Fluorene and a Heteroaromatic Ring as the Conjugating Bridge for High-Performance Dye-Sensitized Solar Cells. Chemistry-A European Journal 2010-0316(10), 3184–3193.
  34. Marappan Velusamy, Ying-Chan Hsu, Jiann T. Lin*, Che-Wei Chang, Chao-Ping Hsu* 1-Alkyl-1H-imidazole-Based Dipolar Organic Compounds for Dye-Sensitized Solar Cells. Chemistry-An Asian Journal 2010-015(1), 87-96.
  35. Jen-Fu Yin, Dibyendu Bhattacharya, P. Thanasekaran, Chao-Ping Hsu*, Tien-Wen Tseng*, Kuang-Lieh Lu* Effect of Ancillary Ligands on the Photophysical Properties of Ru(II) Complexes Bearing a Highly Conjugated Diimine Ligand: A Density Functional Theory Study. Inorganica Chimica Acta 2009-08362(14), 5064-5072.
  36. Chien-Sheng Chen,* Yi-Ping Yu, Bo-Chao Lin, Jacquelyn Gervay-Hague, Jim-Min Fang, Chao-Ping Hsu, Shih-Hsiung Wu* The Observation of the C–H···O sp3 Hydrogen Bond in Trisialic Acid Lactone and Its Implications for Cooperative Lactonization. European Journal Of Organic Chemistry 2009-0720, 3351-3356.
  37. Hung-Cheng Chen, Chen-Yen Hung, Kuan-Hsiang Wang, Hsin-Liang Chen, W. S. Fann, Fan-Ching Chien, Peilin Chen, Tashin J. Chow*, Chao-Ping Hsu*, Shih-Sheng Sun* White-Light Emission from an Upconverted Emission with an Organic Triplet Sensitizer. Chemical Communications 2009-0627, 4064-4066.
  38. Zhenghuan Lin, Hung Cheng Chen, Shih-Sheng Sun*, Chao-Ping Hsu*, Tahsin J. Chow* Bifunctional Maleimide Dyes as Selective Anion Sensors. Tetrahedron 2009-0565, 5216–5221.
  39. Chao-Ping Hsu* The Electronic Couplings in Electron Transfer and Excitation Energy Transfer. Accounts Of Chemical Research 2009-0442(4), 509-518.
  40. Kuan-Lin Liu, Sheng-Jui Lee, I-Chia Chen*, Chao-Ping Hsu, Mei-Yu Yeh, Tien-Yau Luh Excited-state dynamics of [(1,1'-biphenyl)-4,4-diyldi-2,1-ethenediyl]bis(dimethylsilane). Journal Of Physical Chemistry A 2009-01113(7), 1218-1224.
  41. Shih-Tang Huang, Ying-Chan Hsu, Yung-Sheng Yen, Hsien Hsin Chou, Jiann T. Lin*, Che-Wei Chang, Chao-Ping Hsu*, Chiitang Tsai*, Da-Jong Yin  Organic Dyes Containing a Cyanovinyl Entity in the Spacer for Solar Cells Applications. Journal Of Physical Chemistry C 2008-11112(49), 19739-19747.
  42. Hung-Cheng Chen, Zhi-Qiang You, Chao-Ping Hsu* The Mediated Excitation Energy Transfer: Effects of Bridge Polarizability. Journal Of Chemical Physics 2008-08129, 084708.
  43. Yung-Sheng Yen, Ying-Chan Hsu, Jiann T. Lin*, Che-Wei Chang, Chao-Ping Hsu*, Da-Jong Yin Pyrrole-Based Organic Dyes for Dye-Sensitized Solar Cells. Journal Of Physical Chemistry C 2008-07112(32), 12557-12567.
  44. Chao-Ping Hsu*, Zhi-Qiang You, Hung-Cheng Chen Characterization of the Short-Range Couplings in Excitation Energy Transfer. Journal Of Physical Chemistry C 2008-01112(4), 1204-1212.
  45. Chih-Long Chiang, Shih-Min Tseng, Chin-Ti Chen,* Chao-Ping Hsu*, Ching-Fong Shu* Influence of Molecular Dipoles on the Photoluminescence and Electroluminescence of Dipolar Spirobifluorenes. Advanced Functional Materials 2008-0118(2), 248-257.
  46. Ming-Shan Tsai, Ying-Chan Hsu, Jiann T. Lin,* Hung-Cheng Chen, Chao-Ping Hsu* Organic Dyes Containing 1H-Phenanthro[9,10-d]imidazole Conjugation for Solar Cells. Journal Of Physical Chemistry C 2007-11111(50), 18785-18793.
  47. Hsin-Liang Chen, Yi-Fang Huang, Chao-Ping Hsu, Tsong-Shin Lim, Li-Chung Kuo, Man-kit. Leung, Teng-Chih Chao, Ken-Tsung Wong, Show-An Chen, Wunshain Fann* Direct Measurements of Intersystem Crossing Rates and Triplet Decays of Luminescent Conjugated Oligomers in Solutions. Journal Of Physical Chemistry A 2007-08111(38), 9424-9430.
  48. Hsih-Te Yang, Chao-Ping Hsu, Ming-Jing Hwang* An Analytical Rate Expression for the Kinetics of Gene Transcription Mediated by Dimeric Transcription Factors. Journal of Biochemistry 2007-07142(2), 135-144.
  49. Ming-Han Tsai, Yun-Hua Hong, Chih-Hao Chang, Hai-Ching Su, Chung-Chih Wu*,Ausra Matoliukstyte, Jurate Simokaitiene, Saulius Grigalevicius, Juozas V. Grazulevicius*, Chao-Ping Hsu* 3-(9-Carbazolyl)carbazoles and 3,6-Di(9-carbazolyl)carbazoles as Effective Host Materials for Efficient Blue Organic Electrophosphorescence. Advanced Materials 2007-0519(6), 862-866.
  50. Jun-Jih Liang*, J. D. White, Y. C. Chen, C. F. Wang, J. C. Hsiang, T. S. Lim, W. Y. Sun, J. H. Hsu, C. P. Hsu, M. Hayashi, W. S. Fann, K. Y. Peng, S. A. Chen Heterogeneous energy landscapes of individual luminescent conjugated polymers. Physical Review B 2006-08, 74(8).
  51. Chao-Ping Hsu*, Pei-Hsuan Lee, Ching-Wei Chang, Cheng-Tsung Lee Constructing quantitative models from qualitative mutant phenotypes: preferences in selecting sensory organ precursors. Bioinformatics 2006-0622(11), 1375-1382.
  52. Chou-Hsun Yang*, Chao-Ping Hsu The dynamical correlation in spacer-mediated electron transfer couplings. Journal Of Chemical Physics 2006-06124(24),244507-244517.
  53. Zhi-Qiang You*, Chao-Ping Hsu, Graham R. Fleming Triplet-triplet energy-transfer coupling: Theory and calculation. Journal Of Chemical Physics 2006-01124(4), 044506-044516.
  54. Yihan Shao, Laszlo Fusti Molnar, Yousung Jung, Jorg Kussmann, Christian Ochsenfeld, Shawn T. Brown, Andrew T.B. Gilbert, Lyudmila V. Slipchenko, Sergey V. Levchenko, Darragh P. O’Neill, Robert A. DiStasio Jr, Rohini C.Lochan, Tao Wang, Gregory J.O. Beran, Nicholas A. Besley, John M.Herbert, Ching Yeh Lin, Troy Van Voorhis, Siu Hung Chien, Alex Sodt, Ryan P. Steele, Vitaly A. Rassolov, Paul E. Maslen, Prakashan P. Korambath, Ross D. Adamson, Brian Austin, Jon Baker, Edward F. C. Byrd, Holger Dachsel, Robert J. Doerksen, Andreas Dreuw, Barry D. Dunietz, Anthony D. Dutoi, Thomas R. Furlani, Steven R. Gwaltney, Andreas Heyden, So Hirata, Chao-Ping Hsu, Gary Kedziora, Rustam Z. Khalliulin, Phil Klunzinger, Aaron M.Lee, Michael S. Lee, WanZhen Liang, Itay Lotan, Nikhil Nair, Baron Peters, Emil I. Proynov, Piotr A. Pieniazek, Young Min Rhee, Jim Ritchie, Edina Rosta, C. David Sherrill, Andrew C. Simmonett, Joseph E. Subotnik, H. Lee Woodcock III, Weimin Zhang, Alexis T. Bell, Arup K. Chakraborty, Daniel M.Chipman, Frerich J. Keil, Arieh Warshel, Warren J. Hehre, Henry F. SchaeferIII, Jing Kong, Anna I. Krylov, Peter M. W. Gill, Martin Head-Gordon* Advances in methods and algorithms in a modern quantum chemistry program package. Physical Chemistry Chemical Physics 20068(27), 3172-3191.
  55. H.-C. Chen and C.-P. Hsu* Ab initio characterization of electron transfer coupling in photoinduced systems: generalized Mulliken-Hush with configuration-interaction singles.. J. Phys. Chem. A. 2005109, 11989-0.
  56. B.C. Lin, C.P Cheng*, Z.-Q. You and C.-P. Hsu* Charge transport properties of tris(8-hydroxyquinolinato)aluminum(III): Why it is an electron transporter. J. Am. Chem. Soc. 2005127, 66-67.
  57. C.-H. Chen, K.-Y. Liu, S. Sudhakar, T.-S. Lim, W. Fann, C.-P. Hsu* and T.-Y. Luh Efficient light harvesting and energy transfer in organic-inorganic hybrid multichromophoric materials.. J. Phys. Chem. B. 2005, 109(17887).
  58. Z.-Q. You, Y. Shao and C.-P. Hsu* Calculating electron transfer couplings by the spin-flip approach: energy splitting and dynamical correlation effects.. Chem. Phys. Lett. 2004, 390(116).
  59. C.-W. Chang, H. Pi, C.-T. Chien and C.-P. Hsu* Network modeling of Drosophila external sensory organ precursor formation: The role of recently studied genes.. J. Genet. Mol. Biol. 2003, 14(243).
  60. H.M. Vaswani, C.-P. Hsu, M. Head-Gordon and G..R. Fleming Quantum chemical evidence for an intramolecular charge transfer state in the carotenoid peridinin of peridinin-chlorophyll-protein.. J. Phys. Chem. B. 2003, 107(7940).
  61. C.-P. Hsu Theoretical study of photosynthetic light-harvesting processes: Application of time-dependent density functional theory.. J. Chin. Chem. Soc. 2003, 50(745).
Chapter of Publication
  1. Robert C Snoeberger III, Bo-Chao Lin, Chao-Ping Hsu*, 2014, “Theoretical Modeling for Electron Transfer in Organic Materials”, editor(s): Tahsin J. Chow, Organic Structures Design: Applications in Optical and Electronic Devices, pp. 1-32, U.S.A.: Pan Stanford.
Paper of Conference (or Symposium)
  1. Chao-Ping Hsu*, 2016, “Ab initio characterization for singlet fission coupling”, paper presented at 2016 Singlet Fission Workshop, Colorado,USA: University of Colorado Boulder, 2016-06-18 ~ 2016-06-21.
  2. Chao-Ping Hsu*, 2016, “First Principle Characterization of Singlet Fission Coupling”, paper presented at The Seventh Asia-Pacific Conference of Theoretical and Computational Chemistry (APCTCC7), Kaohsiung, Taiwan: APCTCC7, 2016-01-25 ~ 2016-01-28.
  3. Hsu, C.-P.*, 2015, “Noises and dynamics in cells: The fluctuation-dissipation theorem and the burst gene production model”, paper presented at The International Chemical Congress of Pacific Basin Societies (Pacifichem) 2015, Honolulu, USA.: Pacifichem, 2015-12-15 ~ 2015-12-20.
  4. Hsu, C.-P.*, 2015, “Singlet Fission and Interfacial Charge Transfer”, paper presented at The 20th International Workshop on Quantum Systems in Chemistry, Physics and Biology (QSCPXX), Varna, Bulgaria: 波動力學應用研發中心(CMOA), 2015-09-14 ~ 2005-09-20.
  5. Chao-Ping Hsu*, 2015, “Singlet Fission and Interfacial Charge Transfer”, paper presented at Next Generation Organic Photovoltaics II conference, Groningen,the Netherlands: University of Groningen, 2015-06-28 ~ 2015-07-01.
  6. Chao-Ping Hsu*, 2014, “Electronic Coupling for Singlet Fission and Triplet-Triplet Annihilation”, paper presented at Promoting Female Excellence in Theoretical and Computational Chemistry II (FemEx-Oslo), Oslo, Norway: The Centre for Theoretical and Computational Chemistry (CTCC), 2014-06-13 ~ 2014-06-16.
  7. Chao-Ping Hsu*, 2014, “Modeling Charge-Recombination Process in Dye-Sensitize Solar Cells”, paper presented at The 4th Korea-Taiwan Symposium on chemistry for Sustainable Developments, Pyeongchang,South Korea: South Korea, 2014-01-13.
  8. Chao-Ping Hsu*, 2013, “How to Correctly Calculate Electron Transfer Coupling with Density Functional Theory: Using Long-Range Corrected Density Functionals”, paper presented at The 18th International Workshop on Quantum Systems in Chemistry, Physics and Biology (QSCP18), Paraty (Rio de Janeiro), Brazil: Universidade Federal do Rio de Janeiro, 2013-12-01 ~ 2013-12-07.
  9. Chao-Ping Hsu*, 2013, “The fluctuation-dissipation theorem for stochastic kinetics - implications on genetic regulations”, paper presented at The 14th International Conference on Systems Biology, 丹麥(Denmark)哥本哈根(Copenhagen): International Society of Systems Biology (ISSB), 2013-08-30 ~ 2013-09-03.
  10. Chao-Ping Hsu*, 2013, “The Multi-State Approach for Electron Transfer Coupling”, paper presented at the Sixth Asia-Pacific Conference of Theoretical and Computational Chemistry (APCTCC 6), 南韓,慶州: APCTCC, 2013-07-10 ~ 2013-07-13.
  11. Chao-Ping Hsu*, 2013, “Computational Methods for Electronic Couplings”, paper presented at Q-Chem, Inc. Webinar (An Online Seminar over The Internet), http://www.youtube.com/watch?v=ndc1Rn_r6C0: Q-Chem, Inc, 2013-03-07.
  12. Chao-Ping Hsu*, 2012, “The fluctuation-dissipation theorem for stdchastic kinetics and the corresponding linear response theory--implications on genetic regulations”, paper presented at Paradigm innovation in biology:Novel Strategy and Thinking, Taipei, Taiwan: Academia Sinica, 2012-10-16 ~ 2012-10-19.
  13. Chao-Ping Hsu*, 2012, “Theories and applications for electronic coupling in electron transfer and excitation energy transfer ”, paper presented at 2012 1st International Conference on Theoretical, Applied, Computational and Experimental Perspectives, Taipei, Taiwan: The Chinese Culture University, 2012-09-19 ~ 2012-09-21.
  14. Chao-Ping Hsu*, 2012, “Theories and Applications for Electronic Coupling in Electron Transfer and Excitation Energy Transfer ”, paper presented at The Seventeenth International Workshop on Quantum Systems in Chemistry and Physics (QSCP-XVII), Turku, Finland: QSCP, 2012-08-19 ~ 2012-08-25.
  15. Chao-Ping Hsu*, 2012, “Theories and Applications for Electronic Coupling in Electronic Transfer ”, paper presented at Department of Chemistry, Xiamen University Symposium, Xiamen University: Xiamen University, 2012-08-06.
  16. Chao-Ping Hsu*, 2012, “Triplet Energy Transfer in Photosynthetic Light-Harvesting Complexes”, paper presented at The Fifth Cross-Strait Conference on Theoretical and Computational Chemistry, Xian, China: Shaanxi Normal University (SNNU), 2012-08-07 ~ 2012-08-10.
  17. Chao-Ping Hsu*, 2011, “The electronic coupling for electron transfer and excitation energy transfer”, paper presented at The 5th Asian Pacific Conference of Theoretical & Computational Chemistry (APCTCC), Rotorua, New Zealand: APCTCC, 2011-12-09 ~ 2011-12-13.
  18. Chao-Ping Hsu*, 2011, “The movement of charges in organic solids”, paper presented at The 7th Congress of the International Society for Theoretical Chemical Physics, Waseda university ,Tokyo, Japan: ISTCP, 2011-09-02 ~ 2011-09-08.
  19. Chao-Ping Hsu*, 2011, “Theory and application for electronic coupling in triplet excitation energy transfer”, paper presented at The Sixteenth International Workshop on Quantum Systems in Chemistry and Physics, Kanazawa, Japan: QSCP, 2011-09-11 ~ 2011-09-17.
  20. Chao-Ping Hsu*, 2011, “Theories and applications for characterizing electronic coupling factors in electron transfer and excitation energy transfer”, paper presented at The 47th Symposium for Theoretical Chemistry STC 2011, Sursee, Switzerland: ETH Zürich Laboratory for Physical Chemistry, 2011-08-21 ~ 2011-08-25.
  21. Chao-Ping Hsu*, 2011, “Theories and applications for characterizing electronic coupling factors in triplet excitation energy transfer”, paper presented at American Physical Society March meeting, Dallas, Texas, U.S.A.: APS, 2011-03-21 ~ 2011-03-25.
  22. Chao-Ping Hsu*, 2010, “Theories and applications for characterizing electronic coupling factors in excitation energy transfer”, paper presented at Pacifichem 2010, Honolulu, U. S. A.: ACS CSJ CSC CCS KCS NZIC RACI, 2010-12-15 ~ 2010-12-20.
  23. Chao-Ping Hsu*, 2010, “Theories and applications for characterizing electronic coupling factors in electron transfer and excitation energy transfer”, paper presented at the Molecular Quantum Mechanics 2010, University of California, Berkeley, U. S. A.: Molecular Quantum Mechanics 2010, 2010-05-24 ~ 2010-05-29.
  24. Chao-Ping Hsu*, Ching-Cher Yan, 2010, “Linear Response in Stochastic Biochemical Kinetics”, paper presented at the Biophysical meeting, San Francisco, U.S.A.: Biophysical Society, 2010-02-20 ~ 2010-02-24.
  25. Chao-Ping Hsu*, 2009, “Electronic couplings for excitation energy transfer”, paper presented at The 5th Worldwide Chinese Theoretical and Computational Chemistry Conference, Xiamen, China: State Key Laboratory of Physical Chemistry of Solid Surfaces and College of Chemistry and Chemical Engineering, 2009-12-14 ~ 2009-12-17.
  26. Chao-Ping Hsu*, 2009, “Electronic couplings for electron transfer”, paper presented at The 2nd bilateral symposium on materials chemistry and solar energy utilization, Yangpyeong, Korea: Sogang University, 2009-10-24 ~ 2009-10-26.
  27. Chao-Ping Hsu*, Ching-Cher Yan, 2009, “On the equivalence of the equilibrium correlation and non-equilibrium response in stochastic biochemical kinetics”, paper presented at The 10th International Conference on Systems Biology (ICSB2009), Stanford, U. S. A.: Stanford University, 2009-08-30 ~ 2009-09-04.
  28. Chao-Ping Hsu*, 2009, “Electronic couplings in electron transfer and energy transfer”, paper presented at The 3rd cross-strait theoretical and computational chemistry conference, Cheng-Du, China: Sichuan University, 2009-04-23 ~ 2009-04-26.