Kuo Jer-Lai

Assistant Professor
School of Physical and Mathematical Sciences,
Nanyang Technological University,
21 Nanyang Link, Singapore 637371

New page: http://www.iams.sinica.edu.tw/~jlkuo
E-mail: jlkuo@ntu.edu.sg;
Tel:  (65) 6316 2967
Fax: (65) 6316 6984

 

Educational Qualification

1995

B.Sc. (Physics), National Taiwan University, Taiwan

1997

M.Sc. (Physics), National Taiwan University, Taiwan

2003

PhD, Chemical Physics Program, Ohio State University, USA

Professional Experience

Jan/03 – Nov/04

Post-doctoral, Department of Chemistry, University of Pennsylvania, USA

Dec/04 to now 

Assistant Professor, School of Physical and Mathematical Sciences,
Nanyang Technological University, Singapore

Research Interests

  • Structure and Properties of H-bonded clusters
  • Computational Chemistry (reaction mechanism for organic reactions, proton transfer processes, …)
  • Magnetic Properties of Metal Oxides
  • Order/disorder transitions in ice physics and semiconductor alloys
  • Application of Genetic and Evolution Algorithms in Material Discovery
  • Development of multi-scale simulation methods (High performance computing on the CLOUD)

Journal Publications at NTU (since Dec/2004)

1.             Z.R. Xiao, X. F. Fan, L. X. Guan, C. H. A. Huan, Jer-Lai Kuo and L. Wang, "First principle study of the magnetization on oxygen-depleted In2O3 (100) surfaces'', J. Phys. Cond. Matt. (accepted) link

2.             Xiao-feng Fan, Hongyu Wu, Zexiang Shen, and Jer-Lai Kuo, "A First-Principles Study on High-density Pseudo-cubic BC2N'', Diamond and Related Materials (accepted) link

3.             L. X. Guan, J. G. Tao, Z. R. Xiao, B. C. Zhao, X. F. Fan, C. H. A. Huan, Jer-Lai Kuo, and L. Wang, "The roles of Cu doping and oxygen vacancies on ferromagnetism in In2O3:Fe", Phys. Rev. B 79, 184412 (2009) link

4.             Rujee Lorpitthaya, Sophy Bhasi Kunnappilly, Jer-Lai Kuo and Xue-Wei Liu, "Highly Stereoselective Synthesis of Aminoglycosides via Rhodium-catalyzed and Substrate-controlled Aziridination of Glycals'', Org. Biomol. Chem. 7, 1284 (2009) link

5.             Chenliang Li, Jer-Lai Kuo, Biao Wang, Yuanshi Li and Rui Wang, "A new layer compound Nb4SiC3 predicted from first-principles theory'', J. Phys. D: App. Phys. 42, 075404 (2009) link

6.             Dan Bing, Jer-Lai Kuo, Ken-ichiro Suhara, Asuka Fujii and Naohiko Mikami, “Proton Switch Correlated With the Morphological Development of the Hydrogen Bond Network in H+(CH3OH)m(H2O)1 (m = 1−9): An Theoretical and Infrared Spectroscopic Study'', J. Phys. Chem. A 113, 2323 (2009) link

7.             Jingyun Zhang and Jer-Lai Kuo, " Phonon and elastic instabilities in rocksalt calcium oxide under pressure: A first-principles study'', J. Phys. Cond. Matt. 21, 015402 (2009) link

1.             Jer-Lai Kuo, Zhi-zhong Xie, Dan Bing, Asuka Fujii, Toru Hamashima, Ken-ichiro Suhara, and Naohiko Mikami, " Comprehensive analysis of the hydrogen bond network morphology and OH stretching vibrations in protonated methanol-water mixed clusters, H+(MeOH)1(H2O)n (n=1-8)'', J. Phys. Chem. A 112, 10125 (2008) link

2.             Xiao-feng Fan, Zexuan Zhu, Zexiang Shen, and Jer-Lai Kuo, "On the use of Bond Counting Rules in Predicating the Stability of C12B6N6 Fullerene'',  J. Phys. Chem. C 112, 15691 (2008) link

3.             Y.M. You, T. Yu, J. Kasim, H. Song, X.F. Fan, Z.H. Ni, L. Cao, H. Jiang, D. Shen , Jer-Lai Kuo, Z.X. Shen, "Visualization and investigation of Si-C covalent bonding of single carbon nanotube grown on silicon substrate'', App. Phys. Lett. 93, 103111 (2008) link

4.             Kensuke Tono, Jer-Lai Kuo, M. Tada, K. Fukazawa, N. Fukushima, C. Kasai, and Koichi Tsukiyama, "Infrared photodissociation spectroscopy and density-functional calculations of protonated methanol cluster ions: Solvation structures of an excess proton'', J. Chem. Phys., 129, 084304 (2008) link

5.             Nguyen Quoc Chinh, Yew-Soon Ong, Harold Soh, and Jer-Lai Kuo, "A Multi-scale approach to explore the potential energy surface of water clusters (H2O)n n ≤ 8'', J. Phys. Chem. A 112, 6257 (2008) link

6.             X. F. Fan, HD Sun, Z.X. Shen, and Jer-Lai Kuo, Y.M. Lu, "A first-principles analysis on the phase stabilities, chemical bonds, and band gaps of wurtzite structure AxZn1-xO alloys: (A=Ca, Cd, Mg)'',  J. Phys. Cond. Matt. 20, 235221 (2008) link

7.             Z. H. Ni, W. Chen,  X. F. Fan, Jer-Lai Kuo, T. Yu, A. T. S. Wee, Z. X. Shen, ”Raman studies of epitaxial graphene on SiC substrate”,  Phys. Rev. B 77, 115416 (2008) link

8.             Bing Dan, Quoc Chinh Nguyen, Xiao-Feng Fan and Jer-Lai Kuo, "Theoretical study of the structural and electronic properties of SimGen and SimGen- (m+n≤7) clusters'', J. Phys. Chem. A  112, 2235 (2008) link

9.             Zhizhong Xie, Yew-Soon Ong, and Jer-Lai Kuo, "On the effects of basis-set in studying the hydration and dissociation of HF in cubic HF(H2O)7 clusters'', Chem. Phys. Lett.  453, 13 (2008) link

10.         Rujee Lorpitthaya, Zhi-Zhong Xie, Jer-Lai Kuo, and Xue-Wei Liu, "Stereocontrolled Intramolecular Aziridination of Glycals: Ready Access to Aminoglycosides and DFT Studies'', Chemistry, A European Journal 14, 1561 (2008) link

11.         H. M. Fan, Z. H. Ni, Y. P. Feng, X. F. Fan, Jer-Lai Kuo, Z. X. Shen, B. S. Zou, " Anisotropy of electron-phonon coupling in single wurtzite CdS nanowires'',  App. Phys. Lett. 91, 171911 (2007) link

12.         X. F. Fan, Z.X. Zhu, Y.M. Lu, Y.S. Ong, Z.X. Shen, and Jer-Lai Kuo, "A Direct First Principle Study on the Structure and Electronic Properties of BexZn1-xO'', App. Phys. Lett. 91, 121121 (2007) link

13.         Jer-Lai Kuo, Asuka Fujii, and Naohiko Mikami " Theoretical analysis of the morphological development of the hydrogen bond network in protonated methanol clusters'', J. Phys. Chem. A. 111, 9438 (2007) link

14.         Ken-ichiro Suhara, Asuka Fujii, Kenta Mizuse, Naohiko Mikami, and Jer-Lai Kuo, "Compatibility between methanol and water in the three-dimensional cage formation of large-sized protonated methanol-water mixed clusters'', J. Chem. Phys. 126, 194306 (2007) link

15.         H. M. Fan, Z. H. Ni, Y. P. Feng, X. F. Fan, Jer-Lai Kuo, Z. X. Shen, B. S. Zou, "High pressure photoluminescence and Raman investigations of CdSe/ZnS core/shell quantum dots'',  App. Phys. Lett. 90, 021921 (2007) link

16.         Chris Knight, Sherwin J. Singer, Jer-Lai Kuo, Tomas K. Hirsch, Lars Ojamäe and Michael L. Klein, "Prediction of the Ih/XI and VII/VIII proton ordering phase transitions'',  Phys. Rev. E 76, 056113 (2006) link

17.         Jer-Lai Kuo and Werner F. Kuhs, "A First Principle Study on the Structure of Ice-VI: Static Distortion, Molecular Geometry, and Proton Ordering'', J. Phys. Chem. B, 110, 3697 (2006) link

18.         Jer-Lai Kuo, "First Principle Study on the Structure of H+(H2O)6", J. of Phys: Conf. Ser. 28, 87 (2006) link

19.         Huan-Cheng Chang, Chih-Che Wu and Jer-Lai Kuo, "Recent advances in understanding the structures of medium-sized protonated water clusters'', Int. Rev. Phys. Chem. 24 (3-4): 553-578 (2005) link

20.         Jer-Lai Kuo, "The Low-temperature Proton-ordered Phases of Ice Predicted by Ab Initio Methods", Phys. Chem. Chem. Phys. 7, 3733 (2005) link

21.         Jer-Lai Kuo, Michael L. Klein and Werner F. Kuhs, "The Effect of Proton Disorder on the Structure of Ice-Ih: A Theoretical Study'', J. Chem. Phys. 123, 134505 (2005). link

22.         Jer-Lai Kuo and Michael L. Klein, "Structure of protonated water clusters: Low-energy structures and finite temperature behavior", J. Chem. Phys. 122, 024516 (2005).link

23.         Sherwin J. Singer, Jer-Lai Kuo, Tomas K. Hirsch, Chris Knight, Lars Ojamäe and Michael L. Klein, "Hydrogen bond topology and the ice VII/VIII and Ih/XI proton ordering phase transitions", Phys. Rev. Lett. 94, 135701 (2005).link

24.         Massimo Mella, Jer-Lai Kuo, David C. Clary and Michael L. Klein, "Nuclear Quantum Effect on the Structure and Energetics of H+(H2O)6: A Diffusion Monte Calro Study", Phys. Chem. Chem. Phys. 7, 2324-2332 (2005).link

25.         Chih-Kai Lin, Chih-Che Wu, Yi-Sheng Wang, Yuan T. Lee, Huang-Cheng Chang, Jer-Lai Kuo, and Michael L. Klein, "Vibrational predissociation spectra and hydrogen-bond topologies of H+(H2O)9-11'', Phys. Chem. Chem. Phys. 7, 938-944 (2005).link

26.         Chih-Che Wu, Chih-Kai Lin, Huan-Cheng Chang, Jyh-Chian Jiang, Jer-Lai Kuo, Michael L. Klein, "Protonated clathrate cages enclosing neutral water molecules: H+(H2O)21 and H+(H2O)28'', J. Chem. Phys. 122, 074315 (2005).link

Full Publications List