Principle Investigator
Jer-Lai Kuo
1995 B.Sc. (Physics), National Taiwan University, Taiwan 1997 M.Sc. (Physics), National Taiwan University, Taiwan 2003 Ph.D, Chemical Physics Program, Ohio State University, USA Group page: http://jlk.iams.sinica.edu.tw E-mail: jlkuo@pub.iams.sinica.edu.tw
Professional Experience
Jan/2003 - Nov/2004
Dec/2004 - Apr/2009
Apr/2009 - now
Post-doctoral, Department of Chemistry, University of Pennsylvania, USA
Assistant Professor, School of Physical and Mathematical Sciences, Nanyang Technological University, Singapore
Associate Research Fellow, Institute of Atomic and Molecular Sciences, Academia Sinica
Professional Memberships
Collaborator of the Materials Theory Group, Yonsei University, Seoul, KOREA
Coordinator of ASIAA/CCMS/IAMS/NTU-Phys Joint Colloquia
Conferences
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 Talks
Nov 2012, 15th Asian Workshop on First-Principles Electronic Structure Calculations, Taipei
Nov 2011, Ateneo de Manila University, "Synthesizing Semiconductor Alloys on the CLOUD"
May 2011, 15th East Asian Workshop on Chemical Dynamics, "Exploring the structure of H-bonded cluster via multi-model methods"
Mar 2011, National Hsing Hua University, "Exploring the Structures and Dynamics of Water at Interfaces"
Representative Publications
Quoc Chinh Nguyen, 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 pdf
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 pdf
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 pdf
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 n2O3:Fe",Phys. Rev. B 79, 184412 (2009). link pdf
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. C112, 15691 (2008). link pdf
Xiao-feng Fan, Zexuan Zhu, Yew-soon Ong, Y.M. Lu, Zexiang 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 pdf
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 pdf
Jer-Lai Kuo and Micheal L. Klein, "Structure of ice-VII and ice-VIII: A quantum mechanical study", J. Phys. Chem. B 122, 24516 (2004). link pdf