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, …)
  • Order/disorder transitions in ice physics and semiconductor alloys
  • Application of Genetic and Evolution Algorithms in Material Discovery
  • Larger scale computer simulations via first-principles methods
  • Development of multi-scale simulation methods (High performance computing on the CLOUD)

 

Recent Publications:

1.        K. B. Sophy and Jer-Lai Kuo, "Structure and vibrational spectra of H+(HF)n (n=2-9) clusters: An ab initio study'', J. Chem. Phys. (accepted)

2.        Harold Soh, Yew Soon Ong, Quoc Chinh Nguyen, Quoc Huy Nguyen, Mohamed Salahuddin Habibullah, Terence Hung and Jer-Lai Kuo, "Discovering Unique, Low-Energy Pure Water Isomers: Memetic Optimization and Landscape Analysis'', IEEE/ACM Transactions on Computational Biology & Bioinformatics (accepted)

3.        Rujee Lorpitthaya, Zhi-Zhong Xie, Sophy Bhasi Kunnappilly, Jer-Lai Kuo, and Xue-Wei Liu ", "Mechanistic Insights on Substrate-controlled Stereochemistry of Glycals in one-pot Rh-catalyzed Aziridination and Ring-Opening'', Chemistry, A European Journal (accepted)

4.        Xiaofeng Fan, Lei Liu, J.Y. Lin, Zexiang Shen, and Jer-Lai Kuo, "Density functional theory study of finite carbon chain'', ACS Nano. (accepted) link

5.        Liang Yu Yan, Weifeng Li, Xiao Feng Fan, Li Wei, Yuan Chen, Jer-Lai Kuo, Lain-Jong Li, Sang Kyu Kwak, Yuguang Mu, Mary B. Chan-Park, "Enrichment of (8, 4) single-walled carbon nanotubes through co-extraction with heparin'', Small (accepted) link

6.        Bing Dan, Toru Hamashima, Nguyen Quoc Chinh, A. Fujii, and, Jer-Lai Kuo, "A Comprehensive Analysis on the Structure and Proton Switch in H+(CH3OH)m(H2O)n (m + n = 6)'', J. Phys. Chem. A. (accepted) link

7.        Chen-liang Li, Jer-Lai Kuo, Biao Wang and Rui Wang, "Effects of X (V, W, Mo, Hf, Ta, Zr) additions on the ideal brittle cleavage in Cr2Nb: First-principles determination'', Intermetallics 18, 65 (2009) link

8.        Quoc Chinh Nguyen, Yew-Soon Ong, and Jer-Lai Kuo, "A multi-scale approach to study thermal behavior of protonated water clusters H+(H2O)n'', J. Chem. Theory and Comp. 5, 2629 (2009) link

9.        Xiao-feng Fan, Y.M. Lu, Zexiang Shen, and Jer-Lai Kuo. "A Comprehensive Theoretical Study of Thermal Stability and Electronic Properties of Wurtzite and Zincblene ZnOxS1-x'', New J. Phys. 11, 093008 (2009) link

10.      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, 18, 1278 (2009) link

11.      J.G. Tao, L.X. Guan, J.S. Pan,C. H. A. Huan, L. Wang, Jer-Lai Kuo, Z. Zhang, J. W. Chai and S. J. Wang, "Density functional study on ferromagnetism in nitrogen-doped anatase TiO2'', App. Phys. Lett. 95, 062505 (2009) link

12.      Fuming Chen, Wenjing Zhang, Mingli Jia, Li Wei, Xiao-Feng Fan, Jer-Lai Kuo, Yuan Chen, Mary B. Chan-Park, Andong Xia and Lain-Jong Li, "Energy Transfer from Photo-Excited Fluorene-Polymers to Single-Walled Carbon Nanotubes'', J. Phys. Chem. C. 113, 14946  (2009) link

13.      L.X. Guan, J.G. Tao, C. H. A. Huan, Jer-Lai Kuo, L. Wang, "First-principles study on ferromagnetism in nitrogen-doped In2O3'', App. Phys. Lett. 95, 012509 (2009) link

14.      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. 21, 272202 (2009) link

15.      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

16.      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

17.      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

18.      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

19.      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

20.      Zexuan Zhu, Yew-Soon Ong, Jer-Lai Kuo, "Feature Selection Using Single/Multi-Objective Memetic Frameworks'', A Chapter in Multi-Objective Memetic Algorithms (Studies in Computational Intelligence) Vol. 171, Springer, Berlin, Heidelberg, (2009) link

21.      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

22.      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

23.      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

24.      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

25.      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

26.      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

27.      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

28.      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

29.      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

30.      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

Full Publications List (Year)

Full Publications List (Subject)