Name : Ming-Hsien Lee

Current Position : Associate Professor

Institute : Department of Physics, Tamkang University

Place of Birth : Taipei City

Date of Birth : 13th December 1965

Marital Status : Maried, with one daugther


Education and Degrees :

Ph.D. : Physics, University of Cambridge (1991-1995, received 1995)

B.Sc. : Physics and Mathematics Double Degrees, Tamkang University (1984-1990, received 1990)


Work experience :

Associate Professor, Department of Physics, Tamkang University (since 1995-)

Teaching Assitant, Department of Physics, Tamkang University (1990-1991)



Professtional Records

Main Author of the Pseudopotential Database of CASTEP Package, since 1992, with two major release (optimised and ultrasoft), appears in CASTEP Academic release, Cerius2 and Materials Studio.

A member in International CASTEP Developer Club, since 1996.

A Committee member in Computational Materials Research Core Programe, Center of Theoretical Sciences (CTS), Since 2000.



Publication List

1. Liu, Z. P. ; Hu, P. ; Lee, M.-H. Insight into association
reactions on metal surfaces: Density-functional theory studies of
hydrogenation reactions on Rh(111) Journal of Chemical Physics v.119
pp.6282-6289 2003.09.22

2. Tang, L. C. ; Lee, M. H. ; Yang, C. H. ; Huang, J. Y. ;
Chang, C. S. Cation substitution effects on structural, electronic
and optical properties of nonlinear optical AgGa(SxSe1-x)2 crystals
Journal of Physics : Condensed Matter v.15 pp.6043-6055 2003.09.10

3. Michaelides A ; Hu P ; Lee MH ; Alavi A ; King DA
Resolution of an ancient surface science anomaly: Work function change
induced by N adsorption on W{100} PHYSICAL REVIEW LETTERS v.90 pp.
246103-1~4 2003.06.20

4. Lin ZS ; Wang ZZ ; Chen CT ; Chen SKY ; Lee MH Mechanism for
linear and nonlinear optical effects in crystals of the Sr2Be2B2O7
family JOURNAL OF APPLIED PHYSICS v.93 pp.9717-9723 2003.06.15

5. Li-Gan Tien; Tsong-Ming Liaw; Feng-Yin Li; Sheng-Hsien Lin;
Ming-Hsien Lee; Stewart J. Clark Density-Functional-Theory
Calculation of Semiconducting Carbon Nanotubes under an External
Electric Field Journal of the Chinese Chemical Society 50(3B) 627-629

6. Lin, Zhes-huai ; Wang, Zhi-zhong ; Chen, Chuang-tien ; Lee,
Ming-hsien Mechanism of linear and non-linear optical effects in KDP
and urea crystals Journal of Chemical Physics n.118 pp.2349-2356 2003

7. Lin, Zheshuai; Wang, Zhizhong; Chen, Chuangtien; Chen, Shyong
K.; Lee, Ming-Hsien; Mechanism of linear and non-linear
optical effects in KBe2BO3F2 (KBBF) Crystal Chemical Physics Letters
367 523-527 2003.01

8. Chun-Wei Chen; Ming-Hsien Lee Ab initio calculations of
dimensional and adsorbate effects on the workfunction of single-walled
carbon nanotube Diamond and Related Materials Volume 12 565-571 2002

9. Z.S. Lin; Z.H. Wang; H.T. Yang; C.T. Chen and; M-H. Lee
Mechanism for linear and nonlinear optical effects in SrBe3O4 crystal
Journal of Chemical Physics 117 2809 2002.05

10. Lin, Z. S. ; Wang, Z. Z. ; Chen, C. T. ; Lee, M. H.
Mechanism for linear and nonlinear optical effects in monoclinic
bismuth borate(BiB3O6) crystal Journal of Applied Physics v.90, n.11
pp.5585 2001.12

11. Zhang, C. J. ; Baxter, R. J. ; Hu, P. ; Alavi, A. ; Lee, M. H
. A density functional theory study of carbon monoxide oxidation on
the Cu3Pt(111) alloy surface : Comparison with the reactions on Pt(111
) and Cu(111) Journal of chemical physics v.115 pp.5272-5277 2001.11

12. Huang, J. Y. ; Tang, L. C. ; Lee, M. H. Ab initio study of
the structural and optical properties of orthorhombic ternary nitride
crystals Journal of physics condensed matter v.13 pp.10417-10431 2001

13. Lin, Z. S. ; Wang, Z. Z. ; Chen, C. T. ; Lee, M. H.
Calculations for the linear and nonlinear optical coefficients of NaNO
2 crystal Acta Physica Sinica v.50 pp.1145 2001.06

14. C.J. Pickard; B. Winkler; R.K. Chen; M.C. Payne; Lee, M.-H.;J.S.
Lin;J.A. White;V. Milman;and D. Vanderbilt Structural Properties of
Lanthanide and Actinide Compounds within the Plane Wave
Pseudopotential Approach Phys. Rev. Lett. Vol.85 pp.5122 No.24 2000.

15. Cheng, C. ; Kunc, K. ; Lee, M. H. Structural relaxation and
longitudinal dipole moment of SrTiO3(001)(1x1)surfaces Physical
review. B, condensed matter v.62, n.15 pp.10409-10418 2000.10.15

16. J-S. Lin; Y-T. Kuo; J-C. Chen; M-H. Lee Total energy
calculations for silane dissociative chemisorption onto Si(100) and Si
(111) surfaces Journal of the Chinese chemical society v.47 pp.887-
894 2000.08

17. Z.S. Lin; J. Lin; Z.Z. Wang; C.T. Chen; Lee, M.-H. Mechanism
for linear and nonlinear optical effects in LiB3O5, CsB3O5, and CsLiB6
O10 crystals Physical review. B, condensed matter v.62, n.3 pp.1757-
1764 2000.07.15

18. J.S. Lin;Y.T. Kuo; Lee, M. H. ;K.-H. Lee ;J.C. Chen Density
Functional study of structural and electronic properties of silane
adsorbed Si(100)surface Journal of Molecular Structure : Theochem v.
496 pp.163-173 2000.01.07

19. Zhang, C. J. ; Hu, P. ; Lee, M. H. A density functional
theory study on the interaction between chemisorbed CO and S on Rh(111
) Surface science v.432, n.3 pp.305-315 1999.07

20. Lin, Jiao ; Lee, Ming-hsien ; Liu, Zhi-ping ; Chen,
Chuangtian Mechanism for linear and nonlinear optical effects in ]-
BaB2O4 crystal Physical review. B, condensed matter v.60, n.19 pp.
13380-13389 1999.05

21. Winkler, B. ; Milman, V. ; Lee, M. H. Pressure-induced
change of the stereochemical activity of lone electron pair The
journal of chemical physics v.108, n.13 pp.5506-5509 1998.04

22. Hu, P. ; King, D. A. ; Crampin, S. ; Lee, M. H. ; Payne, M. C
. Ab initio diffusiona potential energy surface for CO chemisorption
on Pd at high coverage : coupled translation and rotation Journal of
chemical physics v.107, n.19 pp.8103 1997.11

23. Goringe, C. M. ; Clark, L. J. ; Lee, M. H. ; Payne, M. C. ;
Stich, I. ; White, J. A. ; Gillan, M. J. ; Sutton, A. P. The GaAs(001
)-(2x4) surface : structure, chemistry, and adsorbates Journal of
physical chemistry B v.101, n.9 pp.1498 1997.02

24. Lee, M. H. ; Cheng, C. F. ; Heine, V. ; Klinowski, J.
Distribution of tetrahedral and octahedral A1 sites in gamma alumina
Chemical Physics Letters v.265, n.6 pp.673-676 1997.02

25. Ge, Q. ; Hu, P. ; King, D. A. ; Lee, M. H. ; White, J. A. ;
Payne, M. C. Site symmetry dependence of repulsive interactions
between chemisorbed oxygen atoms on Pt-(1x1) Journal of chemical
physics v.106, n.3 pp.1210-1215 1997.01

26. Dawson, I. ; Bristowe, P. D. ; Lee, M. H. ; Payne, M. C. ;
Segall, M. D. ; White, J. A. First-principles study of a tilt grain-
boundary in rutile Physical review. B, condensed matter v.54, n.19 pp
.13727-13733 1996.11

27. Rouli, Fu ; Lee, M. H. The variation of the energy in
optically-excited C60 and C60 doped with alkalimetal Journal of
infrared & millimeter waves n.15 pp.321 1996.10

28. Milman, V. ; Lee, M. H. On the accuracy of the total energy
pseudopotential scheme applied to small molecules The Journal of
physical chemistry v.100, n.15 pp.6093- 1996.04

29. Fu, R. ; Lee, M. H. ; Payne, M. C. An ab initio approach to
determining the parameters of the model hamiltonian H Journal of
physics. Condensed matter : an Institute of Physics journal v.8, n.15
pp.2539- 1996.03.01

30. Shan, R. ; Payne, M. C. ; Lee, M. H. ; Gale, J. D.
Understanding the ctalytic behavior of zeolites : A first-principles
study of the adsorption of methanol Science v.271, n.5254 pp.1395

31. P. Hu;D. A. King; = Lee, Ming-Hsein;M. C. Payne Orbital mixing
in CO chemisorption on transition metal surfaces Chemical Physics
Letters v.246 n.1 / 2 pp.73- 1995.11.17

32. HVC. Hsueh ;J. R. Maclean;G. Y. Guo ; Lee, Ming-Hsein;S. J.
Clark;G. J. Ackland; J. Crain Pressure-induced polymorphism in CuCl:
An ab initio study Physical review. B, condensed matter v.51 n.18 pp.
12216- 1995.05.01

33. B. Winkler;V. Milamn;B. Hennion; M. C. Payne; Lee, Ming-Hsein
;J. S Lin Ab initio Total Energy study of Brucite, Diaspore and
Hypothetical Hydrous Wadsleyite Physics and Chemisty of Minerals v.22
pp.461 1995.01.21

34. A. Takada;C. R. Catlow;J. S. Lin;G. D. Price; Lee, Ming-Hsein;
V. Milman ;M. C. Payne Ab initio total-energy pseudopotential
calculations for polymorphic B2O3 crystals Physical review. B,
condensed matter v.51 n.3 pp.1447- 1995.01.15

35. K. Refson; R. A. Wogelius; D. G. Reaser; M. C. Payne; Lee,
Ming-Hsein; V. Milman Water Chemisorption and Reconstruction of The
MgO surface Physical review. B, condensed matter v.52 pp.108 1995.01

36. P. Hu;D. A. King;S. Crampin; Lee, Ming-Hsein; M. C. Payne
Gradient corrections in density functional theory calculations for
surfaces: Co on Pd{110} Chemical physics letters v.230 n.6 pp.501-

37. V. Milman;D. E. Jesson;S. J. Penuycook;M. C. Payne; Lee, Ming-
Hsein;I. Stich Large-scale ab initio study of the binding and
diffusion of a Ge adatom on the Si(100) surface Physical review. B,
condensed matter v.50 n.4 pp.2663- 1994.07.15

38. V. Milamn; Lee, Ming-Hsein ;M. C. Payne Ground-state
properties of CoSi2 determined by a total-energy pseudopotential
method Physical review. B, condensed matter v.49, n.23 pp.16300- 1994

39. V. Milman;M. C. Payne;V. Heine;R. J. Needs;J. S. Lin ; Lee,
Ming-hsein Free energy and entropy of diffusion by ab initio
molecular dynamics : Alkali ions in Physical review letters v.70, n.
19 pp.2928- 1993.04