Publications

 

Part A. Invited Review Articles and book chapters

[15] "Tight-binding molecular dynamics for carbon and applications to nanostructure formation", C. Z. Wang, Gun-Do Lee, and K. M. Ho, new Springer Encyclopedia of Complexity and Systems Science, (in press).

[14] "Environment-dependent tight-binding models", C. Z. Wang and K. M. Ho, Handbook of Materials Modeling, Vol. 1, page 307-347, Ed. S. Yip (Springer, 2005).

[13] "Tight-binding molecular dynamics method for nanostructure simulations", C. Z. Wang and K. M. Ho, Handbook of Computational and Theoretical Nanoscience, (in press).

[12] "Tight-binding molecular dynamics for carbon and applications to nanostructure formation", C. Z. Wang and K. M. Ho, J. Computational and Theoretical Nanoscience 1, 1 (2004).

[11] "Genetic Algorithm Optimization of Atomic Clusters", J. R. Morris, D. M. Deaven, K. M. Ho, C. Z. Wang, B. C. Pan, J. G. Wacker, and D. E. Turner, in Evolutionary Algorithms, Eds. L. D. Davis et al., Springer, 1999, p.167.

[10] "Tight-Binding Molecular Dynamics Study of Structures and Dynamics of Carbon Fullerenes", C. Z. Wang, B. L. Zhang, and K. M. Ho, in Computational Studies of New Materials, Ed. D. A. Jelski and T. F. George (World Scientific, Singapore, 1998).

[9] "Structural trends in amorphous carbon", C. Z. Wang and K. M. Ho, MRS symp. proc. 498, Eds. M. P. Siegal et al. (MRS, 1998).

[8] "Environment-dependent tight-binding potential model", C. Z. Wang, B. C. Pan, M. S. Tang, H. Haas, M. Sigalas, G. D. Lee, and K. M. Ho, MRS symp. proc. 491, Eds. P.E.A. Turchi et al. (MRS, 1998) p. 211.

[7] "Tight-Binding Molecular Dynamics Studies of Covalent Systems", C. Z. Wang and K. M. Ho, Adv. Chem. Phys. vol. XCIII, 651 (1996).

[6] "Tight-binding molecular dynamics for materials simulations", C. Z. Wang and K. M. Ho, J. Computer-Aided Materials Design, 3, 139 (1996).

[5] "Material Research with Tight-Binding Molecular Dynamics", C.Z. Wang, K.M. Ho, and C.T. Chan, Computational Material Science 2, 93 (1994).

[4] "Structure, Stability, and Electronic Properties of Large Fullerenes", C.Z. Wang, B.L. Zhang, K.M. Ho, and X.Q. Wang, Int. J. Mod. Phys. B 7, 4305 (1993).

[3] "Tight-Binding Molecular-Dynamics Study of C60 and Other Carbon Clusters", C.Z. Wang, C.H. Xu, B.L. Zhang C.T. Chan, and K.M. Ho, Physics and Chemistry of Finite Systems: From Cluster to Crystals, Eds. P. Jena, S. N. Khanna, and B. K. Rao, (Kluwer Aca., Boston/London, 1992) p. 1391.

[2] "Simulation Studies of Structure and Vibrations of Clean Transition Metal (001) Surfaces Across the Reconstruction Phase Transition", C.Z. Wang, A. Fasolino and E. Tosatti, in Solvay Conference on Surface Science, Ed. F.W. de Wette, (Spring-Verlag, 1988).

[1] "Temperature-Dependent Dynamics of a Displacively Reconstructed Surface: W(001)", C.Z. Wang, A. Fasolino and E. Tosatti, in The Structure of Surfaces II, Eds. J.F.Van der Veen, M.A.Van Hove, (Springer-Verlag, 1988), p.458

Part B. Referred Journal Papers

[147] “Crystallographic phase transition and island height selection in In/Si(111) growth “,J. Chen, M. Hupalo, M. Ji, C. Z. Wang, K. M. Ho, and M. C. Tringides, Phys. Rev. B, 77, 233302 (2008).

[146] “Molecular Dynamics Investigation of Dynamical Heterogeneity and Local Structure in the Supercooled Liquid and Glass states of Al”, Maozhi Li, C. Z. Wang, M. I. Mendelev, and K. M. Ho, Phys. Rev. B, 77, 184202 (2008).

[145] “Honeycomb chain structure of the Au/Si(111)-(5x2) surface reconstruction: a first-principles study”, Feng-Chuan Chuang, Chia-Hsiu Hsu, C. Z. Wang, and K. M. Ho, Phys. Rev. B, 77, 153409 (2008).

[144] “Comparison of the growth patterns of Sin and Gen Clusters (n = 25-33)”, Li-Zhen Zhao, Wen-Cai Lu, Wei Qin, C. Z. Wang, and K. M. Ho, J. Phys. Chem. A 112, 5815 (2008) DOI: 10.1021/jp710937m

[143] “New mofif of silocon segregation in silicon monoxide clusters”, H. Wang, W. C. Lu, Z. S. Li, C. C. Sun, C. Z. Wang, and K. M. Ho, J. Phys. Chem. 112, 7097 (2008).

[142] “Structure of Zr_x Pt_100-x (73≤x≤77) Metallic Glasses”, D.J. Sordelet, R.T. Ott, M.Z. Li, S.Y. Wang, C.Z. Wang, , M.F. Besser, A.C.Y. Liu and M.J. Kramer, Metallurgical and Materials Transaction A 39, 1908 (2008).

[141] “Structures of Aln (n = 27, 28, 29 and 30) clusters with double-tetrahedron structures”, Wei Zhang, Wen-Cai Lu, Jiao Sun, Li-Zhen Zhao, C. Z. Wang, and K. M. Ho, Chem. Phys. Lett. 455, 232 (2008).

[140] “Fragmentation behaviors of Gen Clusters (2 ≤ n ≤ 33)”, Li-Zhen Zhao, Wen-Cai Lu, Wei Qin, Qing-Jun Zang, C. Z. Wang, and K. M. Ho, Chem. Phys. Lett. 455, 225 (2008).

[139] “Gutzwiller density functional theory for correlated electron systems”, K. M. Ho, J. Schmalian, and C. Z. Wang, Phys. Rev. B 77, 073108 (2008).

[138] “The formation of pentagon-hepatagon pair defect by the reconstruction of vacancy defects in carbon nanotube”, Gun-Do Lee, C. Z. Wang, Jaejun Yu, Euijoon Yoon, Nong-Moon Hwang, Kai-Ming Ho, Appl. Phys. Lett, 92, 043104 (2008)

[137] “Cluster-in-jellium model and icosahedral ordering tendencies in liquid Al alloys", Y. X. Yao, C. Z. Wang and K. M. Ho, Phys. Rev. B 76, 174209 (2007).

[136] “Highly localized quasiatomic minimal basis orbitals for Mo from ab-initio calculations” T.-L. Chan, Y. X. Yao, C. Z. Wang, W. C. Lu, J. Li, X. F. Qian, S. Yip, K. M. Ho, Phys. Rev. B 76, 205119 (2007).

[135] “The structure of ultra-thin H-passivated [112] silicon nanowires”, N. Lu, C. V. Ciobanu, T. L. Chan, F.-C. Chuang, C. Z. Wang, and K. M. Ho, J. Phys. Chem. C 111, 7933 (2007).

[134] "Formation of Carbon Nanotube Semiconductor-Metal Intramolecular Junctions by Self-Assembly of Vacancy Defects", Gun-Do Lee, C. Z. Wang, Jaejun Yu, Euijoon Yoon, Nong-Moon Hwang, Kai-Ming Ho, Phys. Rev. B 76, 165413 (2007).

[133] “Strongly-Driven Coarsening of Height-Selected Pb Islands on Si(111)”, Maozhi Li, J. Evans, C. Z. Wang, M. Hupalo, M. C. Tringides, T. L. Chan, K. M. Ho, Surf. Sci. Lett. 601 (23) L140-L144 (2007).

[132] “Interplay between indirect interaction and charge density wave in Pb adsorbed In(4x1)-Si(111)”, M. Hupalo, T. L. Chan, C. Z. Wang, K. M. Ho, and M. C. Tringides, Phys. Rev. B 76, 045415 (2007).

[131] “Vacancy defects and the formation of local haeckelite structures in graphene from tight-binding molecular dynamics”, Gun-Do Lee, C. Z. Wang, Euijoon Yoon, Nong-Moon Hwang, and K. M. Ho, Phys. Rev. B 74, 245411(2006).

[130] “Interface mobility and the liquid-glass transition in a one-component system described by an embedded atom method Potential”, M.I. Mendelev, J. Schmalian, C.Z. Wang, J.R. Morris, and K.M. Ho, Phys. Rev. B 74, 104206 (2006).

[129] “Undissociated screw dislocation in Si: glide or shuffle-set?" C. Z. Wang, Ju Li, K. M. Ho, and S. Yip, Appl. Phys. Lett. 89, 051910 (2006).

[128] “A First-Principles Study of Oxidation Pattern in Magic Si7 Cluster”, Q. J. Zang, Z. M. Su, W. C. Lu, C. Z. Wang, and K. M. Ho, Chem. Phys. Lett. 430, 1 (2006).

[127] “Oxidation Pattern of Small Silicon Oxide Clusters: Structures and Stability of Si6On (n = 1 − 12)”, Q. J. Zang, Z. M. Su, W. C. Lu, C. Z. Wang, and K. M. Ho, J. Phys. Chem. A 110, 8151 (2006).

[126] “Diffusion of Pb adatom and ad-dimer on Si(100) from ab-initio Studies” T.-L. Chan, Y. Y. Ye, C. Z. Wang, K. M. Ho, Surf. Sci. Lett. 600, L159-L163 (2006).

[125] “Quantum size effect on the diffusion barriers and growth morphology of Pb/Si(111)”, T. L. Chan, C. Z. Wang, M. Hupalo, M. C. Tringides, and K. M. Ho, Phys. Rev. Lett. 96, 226102 (2006).

[124] “Magic structures of H-passivated [110] silicon nanowires” T. L. Chan, C. V. Ciobanu, F.-C. Chuang, N. Lu, C. Z. Wang, and K. M. Ho, Nanolett. 6(2), 277-281 (2006).

[123] “Dynamics of the trimeric AcrB transporter protein inferred from a B-factor analysis of the crystal structure”, W. C. Lu, C. Z. Wang, E. Yu, and K. M. Ho, Proteins 62, 152-158 (2006).

[122] “Structures of neutral aluminum clusters Aln ( n=2-23)”, Feng-chuan Chuang, C. Z. Wang, and K. M. Ho, Phys. Rev. B 73, 125431 (2006).

[121] "The codability criterion for picking protein-like structures from randon 3D configurations", H. B. Cao, C. Z. Wang, D. Dobbs, Y. Ihm, and K. M. Ho, Phys. Rev. E 74, 031921 (2006).

[120] "Impact of Interface Relaxation on Nanoscale corrugation in Pb/Si(111) Islands", Z. L. Chan, C. Z. Wang, M. Hupalo, M. C. Tringides, W. C. Lu, and K. M. Ho, Surf. Sci. Lett. 600 L179-L183 (2006)

[119] "Structures of SimH2m (m=1-7) clusters by global optimization", Mingsheng Tang, C.Z. Wang, W. C. Lu, and K.M. Ho, Phys. Rev. B 74, 195413, (2006).

[118] "Potential Energy Surfaces of SimOn Cluster Formation and Isomerization", Pavel V. Avramov, Ivana Adamovic, Kai-Ming Ho, C. Z. Wang, W. C. Lu, and Mark S.Gordon, J. Phys. Chem. A 109, 6294 (2005).

[117] “Diffusion, coalescence and reconstruction of vacancy defects in graphene layers”, Gun-Do Lee, C. Z. Wang, Euijoon Yoon, Nong-Moon Hwang, Doh-Yeon Kim, and K. M. Ho, Phys. Rev. Lett. 95, 205501 (2005).

[116] “Structure and Stability of Oxygen Adsorption on Sin cluster (n=5-10)”, H. Wang, W. C. Lu, C. C. Sun, C. Z. Wang and K. M. Ho, Chem. Phys. Phys. Chem. 7, 3811-3818 (2005).

[115] “Model reconstructions for the Si(337) orientation”, F. C. Chuang, C. V. Ciobanu, C. Z. Wang, and K. M. Ho, J. Appl. Phys. 98, 073507 (2005).

[114] “Global structure optimization of Si magic clusters on the Si(111)7x7 surface”, F-C. Chuang, B. Liu, C. Z. Wang, T –L. Chan, and K. M. Ho, Surf. Sci. Lett. 598, L339-L346 (2005).

[113] "A fast method for estimating the energy distribution of protein molten globular states", H. B. Cao, C. Z. Wang, and K. M. Ho, Phys. Rev. E 72, 021907 (2005).

[112] “Interface relaxation and electronic corrugation in the Pb/Si(111)-Pb-a-R3xR3”, M. Hupalo, V. Yeh, T. L. Chan, C. Z. Wang, K. M. Ho, and M. C. Tringides, Phys. Rev. B 71, 193408 (2005).

[111] “A first-principles studies of group IV dimmer chains on Si(100)”, T. L. Chan, C. Z. Wang, Z. Y. Lu, K. M. Ho, Phys. Rev. B 72, 045405 (2005).

[110] “Structure of Si(114) determined by global optimization methods”, F. C. Chuang, C. V. Ciobanu, C. Predescu, C. Z. Wang, and K. M. Ho, Surf. Sci. 578, 183 (2005).

[109] “Ab initio molecular dynamics Simulation of liquid Al88Si12 Alloys”, Songyou Wang, C. Z. Wang, F. C. Chuang, J. R. Morris, and K. M. Ho, J. Chem. Phys. 122, 034508 (2005).

[108] "Transferability of the Slater-Koster Tight-Binding Scheme from a First-Principles Perspective", W.C. Lu, C.Z. Wang, K. Ruedenberg, and K. M. Ho, Phys. Rev. B, 72, 205123 (2005).

[107] "Predicting binding sites of hydrolase-inhibitor complexes by combining several methods", T. Z. Sen, A. Kloczkowski, R. L. Jernigan, C. H. Yan, V. Honavar, K. M. Ho, C. Z. Wang , Y. Ihm, H. B. Cao, X. Gu, D. Dobbs, BMC BIOINFORMATICS 5: Art. No. 205 DEC 17 (2004).

[106] "Finding the Reconstructions of Semiconductor Surfaces via a Genetic Algorithm", F. C. Chuang, C. V. Ciobanu, V. B. Shenoy, C. Z. Wang, and K. M. Ho, Surf. Sci. Lett. 573, L375 (2004).

[105] "Effect of Chain Connectivity on the Structure of Lennard-Jones Liquid and Its Implication on Statistical Potentials for Protein Folding", W. C. Lu, C. Z. Wang, and K. M. Ho, Phys. Rev. E 69, 061920 (2004).

[104] "Ab initio Molecular Dynamics Simulation of liquid Al_xGe_1-x Alloys", Songyou Wang, C. Z. Wang, F. C. Chuang, J. R. Morris, and K. M. Ho, Phys. Rev. B 70, 224205 (2004).

[103] "Core energy and peierls stress of screw dislocation in Molybdenum: a periodic cell tight-binding study", Ju Li, C. Z. Wang, J.-P. Chang, W. Cai, V. Bulatov, K. M. Ho, and S. Yip, Phys. Rev. B 70, 104113 (2004).

[102] "Physical trends in amorphous carbon: a tight-binding molecular dynamics study", C. Mathioudakis, G. Kopidakis, P. C. Kelires, C. Z. Wang, and K. M. Ho, Phys. Rev. B 70, 125202 (2004).

[101] "Three-dimensional threading approach to protein structure recognition", H. B. Cao, Y. Ihm, C. Z. Wang, J. R. Morris, M. Su, D. Dobbs, and K. M. Ho, Polymer 45, 687 (2004).

[100] "Melting of small Sn clusters by ab initio molecular dynamics simulations", F.-C. Chuang, C. Z. Wang, S. Ogut, James. R. Chelikowsky, and K. M. Ho, Phys. Rev. B 69, 165408 (2004).

[99] "Representation of Electronic Structures in Crystals in Terms of Highly Localized Quansiatomic Minimal Basis Orbitals", W.C. Lu, C.Z. Wang, Z. L. Chan, K. Ruedenberg, and K. M. Ho, Phys. Rev. B (Rapid Communications) 70, 041101 (2004).

[98] "Molecule Intrinsic Minimal Basis Sets. II. Bonding Analyses in Si4H6 and Si2 to Si10", W.C. Lu, C.Z. Wang, M.W. Schmidt, L. Bytautas, K.M. Ho, K. Ruedenberg, J. Chem. Phys. 120, 2638 (2004).

[97] "Molecule Intrinsic Minimal Basis Sets. I. Exact Resolution of SCF, DFT and FORS Molecular Orbitals in terms of Deformed Atomic Minimal-Basis Orbitals.", W.C. Lu, C.Z. Wang, M.W. Schmidt, L. Bytautas, K.M. Ho, K. Ruedenberg, J. Chem. Phys. 120, 2629 (2004).

[96] "Search for Most Stable Structure of Si8H8 Cluster", Mingsheng Tang, Wencai Lu, C. Z. Wang, and K. M. Ho, Chem. Phys. Lett. 377, 413 (2003).

[95] "Medium-Sized silicon oxide clusters by Si3O3-ring assembly", W.C. Lu, C.Z. Wang and K.M. Ho, Chem. Phys. Lett. 378, 225 (2003).

[94] "Structures and Fragmentations of Small Silicon Oxide Clusters by ab initio Calculations", W. C. Lu, C. Z. Wang, V. Nguyen, M. W. Schmidt, M. S. Gordon, K. M. Ho, J. Phys. Chem. A 107, 6936 (2003).

[93] "Heat-induced transformation of nanodiamond into a tube-shaped fullerence: A molecular dynamics simulation", Gun-Do Lee, C.Z. Wang, Jaejun Yu, Euijoon Yoon, K.M. Ho, Phys. Rev. Lett. 91, 265701 (2003).

[92] "Atomic-scale perspective on the origin of attractive step interactions on Si(113)", C. V. Ciobanu, D. T. Tambe, V. B. Shenoy, C. Z. Wang, and K. M. Ho, Phys. Rev. B 68 (Rapid Commun.), 201302 (2003).

[91] "Structure and Stability of the Si(105) surface", C. V. Ciobanu, V. B. Shenoy, C. Z. Wang, and K. M. Ho, Surf. Sci. Lett. 544, L715 (2003).

[90] "Mixed PbSi dimer chains on Si(100): A first-principles study", T. L. Chan, C. Z. Wang, Z. Y. Lu, K. M. Ho, Surf Sci. Lett. 542, L649 (2003).

[89] "Electronic structure of stepped Si(111)-(7 x 7): Theory and experiment" M. Hupalo, C. Z. Wang, B. J. Min, K. M. Ho, and M. C. Tringides, Phys. Rev. B 67, 115333 (2003).

[88] "First-principles studies of structures and stabilities of Pb/Si(111)" Tzu-Liang Chan, C. Z. Wang, M. Hupalo, M. C. Tringides, Zhong-Yi Lu, and K. M. Ho, Phys. Rev. B 68, 045410 (2003).

[87] "Atomic models, domain wall arrangement and electronic structure of the dense Pb/Si(111)-Root3 x Root3 phase", M. Hupalo, T. L. Chan, C. Z. Wang, K. M. Ho, M. C. Tringides, Phys. Rev. B 66, 161410 (2002).

[86] "Mixed SiGe ad-dimer on Si(001): diffusion triggers intermixing", Z. Y. Lu, C. Z. Wang, and K. M. Ho, Surf. Phys. Lett. 506, L282 (2002)

[85] “Structures and bonding properties of small Mo clusters”, B. J. Min, C. Z. Wang, and K. M. Ho, J. Korean Phys. Soc. 39, 741 (2001).

[84] "Role of the metal/semiconductor interface in quantum size effects: Pb/Si(111)", V. Yeh, L. Berbil-Bautista, C. Z. Wang, K. M. Ho, and M. C. Tringides, Phys. Rev. Lett. 85, 5158 (2000).

[83] "Dimer-flipping assistant diffusion on Si(001) surface", J. Zi, B. J. Min, Z. Y. Lu, C. Z. Wang, and K. M. Ho, Appl. Phys. Lett. 77, 4184(2000).

[82] "Unique Dynamics Appearance of a Ge-Si ad-Dimer on Si(001)", Z. Y. Lu, F. Liu, C. Z. Wang, X. R. Qin, B. S. Swartentruber, M. G. Lagally, and K. M. Ho, Phys. Rev. Lett. 85, 5603 (2000).

[81] "Reconstruction of Mo(100) surface: a tight-binding study”, H. Haas, C. Z. Wang, K. M. Ho, M. Fahnle, and C. Elsasser, Surf. Sci. Lett. 457, L397 (2000).

[80] "Correlated piecewise diffusion of a Ge addimer on Si(001) surface", Z. Y. Lu, C. Z. Wang, and K. M. Ho, Phys. Rev. B, 62, 8104 (2000).

[79] "Correlation Between STM imaged Configurations and the Electronic Structure of Stepped Si(111) Surfaces", M. Hupalo, B. Min, C. Z. Wang, K. M. Ho, and M. C. Tringides, Phys. Rev. Lett. 84, 2877 (2000).

[78] "Structures and Dynamical Properties of Cn, Sin, Gen and Snn Clusters with n up to 13", Z. Y. Lu, C. Z. Wang, and K. M. Ho, Phys. Rev. B 61, 2329 (2000).

[77] "Laser-induced graphitization on diamond (111) surface", C. Z. Wang and K. M. Ho, M. Shirk, and P. Molian, Phys. Rev. Lett. 85, 4092 (2000).

[76] “Addimer Diffusion on Si(100)” G. D. Lee, C. Z. Wang, Z. Y. Lu, and K. M. Ho, J. Korean Phys. Soc. 35, S27 (1999)

[75] "Atomistic Simulation of Laser Ablation of Diamond and Silicon (111) Surface", C. Z. Wang and K. M. Ho, Surf. Rev. & Lett.6, 1025 (1999).

[74] "Addimer Diffusion on the Si(100) Surface", Gun-Do Lee, C. Z. Wang, Z. Y. Lu, and K. M. Ho, Surf. Rev. & Lett. 6, 1015 (1999).

[73] "Structures of Germanium Clusters: Where the Growth Patters of Silicon and Germanium Clusters Diverge", A. A. Shvartsburg, B. Liu, Z. Y. Lu, C. Z. Wang, M. F. Jarrold, and K. M. Ho, Phys. Rev. Lett. 83, 2167 (1999).

[72] "Calculated polarizabilities of intermediate-size Si clusters", K. Jackson, M. Pederson, C. Z. Wang, and K. M. Ho, Phys. Rev. A 59, 3685 (1999).

[71] "Temperature-dependent phonon fequency shift in bcc Mo", H. Haas, C. Z. Wang, M. Fahnle, C. Elsasser, and K. M. Ho, J. Phys. Condensed Matter 11, 5313 (1999).

[70] "Addimer diffusion along the trough between dimer rows on Si(001)", Gun-Do Lee, C. Z. Wang, Z. Y. Lu, K. M. Ho, Surf. Sci. Lett. 426, L427 (1999).

[69] "Adatom vacancy on the Si(111)-(7x7) surface", C. Z. Wang, B. C. Pan, J. B. Xiang, and K. M. Ho, Surf. Sci. Lett. 436, L687 (1999).

[68] "An Environment-dependent tight-binding potential for silicon", C. Z. Wang, B. C. Pan, and K. M. Ho, J. Phys: Condensed Matter 11, 2043 (1999).

[67] "Ionization of medium-sized silicon clusters and the geometries of the cations", B. Liu, Z. Y. Lu, B. Pan, C. Z. Wang, K. M. Ho, A. A. Shvartsburg, and M. F. Jarrold, J. Chem. Phys. 109, 9401 (1998).

[66] "Dissociation energies of silicon clusters: A depth cauge for the global minimum on the potential energy surface", A. A. Shvartsburg, M. F. Jarrold, B. Liu, Z. Y. Lu, C. Z. Wang, and K. M. Ho, Phys. Rev. Lett. 81, 4616 (1998).

[65] "Ad-dimer diffusion between trough and dimer row on Si(100)", Gun-Do Lee, C. Z. Wang, Z. Y. Lu, K. M. Ho, Phys. Rev. Lett. 81, 5872, (1998).

[64] "Hydrogen-induced structrural changes in tetrahedral amorphous carbon", G. Kopidakis, C. Z. Wang, C. M. Soukoulis, and K. M. Ho, Phys. Rev. B 58, 14106 (1998).

[63] "First-principles determination of the S =13 {510} symmetric tilt boundary structure", J. R. Morris, Z. Y. Lu, D. M. Ring, J. B. Xiang, K. M. Ho, C. Z. Wang, and C. L. Fu, Phys. Rev. B 58, 11241 (1998).

[62] "Structure and properties of Si13 Isomers", B. C. Pan, C. Z. Wang, D. E. Turner, and K. M. Ho, Chem. Phys. Lett. 292, 75 (1998).

[61] "Structures of Medium-Sized Silicon Clusters", K. M. Ho, A. Shvartsburg, B. C. Pan, Z. Y. Lu, C. Z. Wang, J. Wacker, J. L. Fye, and M. F. Jarrold, Nature, 392, 582 (1998).

[60] "Environment-dependent tight-binding model for molybdenum", H. Haas, C. Z. Wang, M. Fahnle, C. Elsasser, and K. M. Ho, Phys. Rev. B 58, 1461 (1998).

[59] "Material simulations with tight-binding molecular dynamics", C. Z. Wang and K. M. Ho, J. Phase Equil. 18, 516 (1997).

[58] "A tight-binding molecular dynamics study of phonon anharmonic effects in diamond and graphite", G. Kopidakis, C. Z. Wang, C. M. Soukoulis, and K. M. Ho, J. Phys: Condens. Matter 9, 7071(1997).

[57] "O(N) tight-binding molecular dynamics study of amorphous carbon", C. Z. Wang, S. Y. Qiu, and K. M. Ho, Comp. Materials Sci. 7, 315(1997).

[56] "Incomplete melting of the Si(100) surface from molecular-dynamics simulations using the effective-medium tight-binding model", K. Stokbro, K. W. Jacobsen, J. K. Norskov, D. M. Deaven, C. Z. Wang, and K. M. Ho, Surf. Sci. 360, 221 (1996).

[55] "Environment-Dependent Tight-Binding Potential Model", M. S. Tang, C. Z. Wang, C. T. Chan, and K. M. Ho, Phys. Rev. B 53, 979 (1996).

[54] "Relationship Between Structure and Conductivity in Liquid Carbon", J. R. Morris, C. Z. Wang, and K. M. Ho, Phys. Rev. B 52, 4138 (1995).

[53] "Vibrational Modes in C70: A First-Principles Study", X. Q. Wang, C. Z. Wang, and K. M. Ho, Phys. Rev. B (Rapid Communications), 51, 8656 (1995).

[52] "Anomalous Phonon and Phase Fluctuation in bcc Zr", B.L. Zhang, C.Z. Wang, K.M. Ho, D. Turner, and Y.Y. Ye, Phys. Rev. Lett. 74, 1375 (1995).

[51] "Structural Trends in Amorphous Carbon", C.Z. Wang and K.M. Ho, Phys. Rev. B 50, 12429 (1994).

[50] "Electronic Structure of Diamond-like Amorphous Carbon", C.Z. Wang and K.M. Ho, J. Phys: Condens. Matter 6, (letter to the Editor) L239 (1994).

[49] "Structure of Collapsed Solid C60", B.L. Zhang, C.Z. Wang, K.M. Ho, and C.T. Chan, Europhys. Lett. 28, 219 (1994).

[48] "Tight-Binding Molecular Dynamics with Linear System-Size Scaling", S.Y. Qiu, C.Z. Wang, K.M. Ho, and C.T. Chan, J. Phys: Condens. Matter 6, 9153 (1994).

[47] "Reply to The Comment of Drabold et al.", C.Z. Wang and K.M. Ho, Phys. Rev. Lett. 72, 2667 (1994).

[46] "Transferable Tight-Binding Models For Si", I. Kwon, R. Biswas, C.Z. Wang, K.M. Ho, C.M. Soukoulis, Phys. Rev. B 49, 7242 (1994).

[45] "Melting Line of Aluminum from Simulations of Coexisting Phases", J.R. Morris, C.Z. Wang, K.M. Ho, and C.T. Chan, Phys. Rev. B 49, 3109 (1994).

[44] "Electronic Structure of C82 fullerene isomers", X.Q. Wang, C.Z. Wang, B.L. Zhang, and K.M. Ho, Chem. Phys. Lett. 217, 199 (1994).

[43] "The Pseudoelastic Behavior of Hypostoichiometric NiAl Alloys: A Simple Model", Y.Y. Ye, C.T. Chan, K.M. Ho, and C.Z. Wang, Phys. Rev. B 49, 5852 (1994).

[42] "First-Principles Study of C96 fullerene isomers", X.Q. Wang, C.Z. Wang, B.L. Zhang, and K.M. Ho, Chem. Phys. Lett. 214, 193 (1993).

[41] "Thermal Disintegration of Carbon Fullerenes", B.L. Zhang, C.Z. Wang, C.T. Chan, and K.M. Ho, Phys. Rev. B 48, 11381 (1993).

[40] "Structure, Dynamics, and Electronic Properties of Diamond-like Amorphous Carbon", C.Z. Wang and K.M. Ho, Phys. Rev. Lett. 71, 1184 (1993).

[39] "Structure and Dynamics of Liquid Carbon", C.Z. Wang, K.M. Ho, and C.T. Chan, Phys. Rev. B 47, 14835 (1993).

[38] "Which D2 fullerene isomer of C84 has been observed?", X.Q. Wang, C.Z. Wang, B.L. Zhang, and K.M. Ho, Chem. Phys. Lett. 207, 349 (1993).

[37] "Melting of Carbon Cages", B.L. Zhang, C.Z. Wang, K.M. Ho, and C.T. Chan, Z. Phys. D 26, S285 (1993).

[36] "Structural and Elctronic Properties of Large Fullerenes", X.Q. Wang, C.Z. Wang, B.L. Zhang, and K.M. Ho, Z. Phys. D 26, S264 (1993).

[35] "First-Principles Study of Vibrational Modes in Icosahedral C60", X.Q. Wang, C.Z. Wang, and K.M. Ho, Phys. Rev. B 48, 1884 (1993).

[34] "Simulated Annealing Studies of Structural Trends in Carbon-Clusters", C.H. Xu, C.Z. Wang, C.T. Chan, and K.M. Ho, Phys. Rev. B 47, 9878 (1993).

[33] "Tight-Binding Molecular-Dynamics Simulation of Buckyball Collision", B.L. Zhang, C.Z. Wang, C.T. Chan, and K.M. Ho, J. Chem. Phys. 97, 3134 (1993).

[32] "Vibrational Spectra of C84 Isomers", B.L. Zhang, C.Z. Wang, and K.M. Ho, Phys. Rev. B 47, 1643 (1993).

[31] "Tight-Binding Molecular-Dynamics Study of Amorphous Carbon", C.Z. Wang, K.M. Ho, and C.T. Chan, Phys. Rev. Lett. 70, 611 (1993).

[30] "The Geometry of Large Fullerene Cages: C72 to C102", B.L. Zhang, C.Z. Wang, K.M. Ho, C.H. Xu, and C.T. Chan, J. Chem. Phys. 98, 3095 (1993).

[29] "Relative Stability of C78 Isomers", X.Q. Wang, C.Z. Wang, B.L. Zhang, and K.M. Ho, Chem. Phys. Lett. 200, 35 (1992).

[28] "The Geometry of Small Fullerene Cages: C20 to C70", B.L. Zhang, C.Z. Wang, K.M. Ho, C.H. Xu, and C.T. Chan, J. Chem. Phys. 97, 5007 (1992).

[27] "Structures and Stabilities of Carbon Fullerenes", C.Z. Wang, B.L. Zhang, C.H. Xu, C.T. Chan. and K.M. Ho, Int. J. Mod. Phys. B 6, 249 (1992).

[26] "A Systematic Study of Structures and Stabilities of Fullerenes", B.L. Zhang, C.H. Xu, C.Z. Wang, C.T. Chan, and K.M. Ho, Phys. Rev. B 46, (rapid communication) 7333 (1992).

[25] "Tight-Binding Molecular-Dynamics Study of Hydrogen Vibration Spectrum on Si(111) Surface", B.J. Min, Y.H. Lee, C.Z. Wang, C.T. Chan, and K.M. Ho, Phys. Rev. B 46, 9677 (1992).

[24] "Structure and Dynamics of C60 and C70 From Tight-Binding Molecular Dynamics", C.Z. Wang, C.T. Chan, and K.M. Ho, Phys. Rev. B 46, 9761 (1992).

[23] "Structural and Electronic Properties of C84: A First-Principles Study", X.Q. Wang, C.Z. Wang, B.L. Zhang, and K.M. Ho, Phys. Rev. Lett. 69, 69 (1992).

[22] "Transferable Tight-Binding Potential for Carbon", C.H. Xu, C.Z. Wang, C.T. Chan, and K.M. Ho, J. Phys: Condens. Matter 4, 6047 (1992).

[21] "Tight-Binding Molecular-Dynamics Study of Liquid Si", C.Z. Wang, C.T. Chan, and K.M. Ho, Phys. Rev. B 45, 12227 (1992).

[20] "Structure of Large Fullerenes: C60 to C94", B.L. Zhang, C.Z. Wang, and K.M. Ho, Chem. Phys. Lett. 193, 225 (1992).

[19] "Search for the Ground-State Structure of C84", B.L. Zhang, C.Z. Wang, and K.M. Ho, J. Chem. Phys. 96, 7183 (1992).

[18] "Disintegration and Formation of C60", .C. Z. Wang, C.H. Xu, C.T. Chan, and K.M. Ho, J. Phys. Chem. 96, (Letters) 3563 (1992).

[17] "Tight-Binding Model for Hydrogen-Silicon Interactions", B.J. Min, Y.H. Lee, C.Z. Wang, C.T. Chan, and K.M. Ho, Phys. Rev. B 45, 6839 (1992).

[16] "Overtone Phonon States and The Sharp Two-Phonon Raman Peak in Diamond", C.Z. Wang, C.T. Chan, and K.M. Ho, Solid State Communications, 80, 469 (1991).

[15] "Molecular Dynamics Simulation of Thermal Conductivity in Amorphous Silicon", Y.H. Lee, R. Biswas, C.M. Soukoulis, C.Z. Wang, C.T. Chan, and K.M. Ho, Phys. Rev. B 43, 6573 (1991).

[14] "Theory of Thermal Expansion of Si and Diamond", C.H. Xu, C.Z. Wang, C.T. Chan, and K.M. Ho, Phys. Rev. B 43, 5024 (1991).

[13] "Tight-Binding Molecular-Dynamics Study of Defects in Silicon", C.Z. Wang, C.T. Chan, and K.M. Ho, Phys. Rev. Lett. 66, 189 (1991).

[12] "Tight-Binding Molecular Dynamics Study of Phonon Anharmonic Effects in Silicon and Diamond", C.Z. Wang, C.T. Chan, and K.M. Ho, Phys. Rev. B 42, 11276 (1990).

[11] "Two Phonon Spectrum of Diamond: A Molecular Dynamics Study", C.Z. Wang, C.T. Chan, and K.M. Ho, Solid State Communications, 76, 483 (1990).

[10] "Molecular Dynamics Study of Anharmonic Effects In Silicon", C.Z. Wang, C.T. Chan, and K.M. Ho, Phys. Rev. B 40, 3390 (1989).

[9] "Empirical Tight-Binding Force Model for Molecular-Dynamics Simulation of Si", C.Z. Wang, C.T. Chan, and K.M. Ho, Phys. Rev. B 39, 8586 (1989).

[8] "Electronic Structure of Dangling and Floating Bonds in Amorphous Silicon", R. Biswas, C.Z. Wang, C.T. Chan, K.M. Ho, and C.M. Soukoulis, Phys. Rev. Lett. 63, 1491 (1989).

[7] "Mo(001) and W(001): Incommensurate versus Commensurate Reconstructed Surface Phonons", C.Z. Wang, A. Fasolino and E. Tosatti, Surf. Sci. 211/212, 323 (1989).

[6] "Temperature-Dependent Phonons of the c(2x2) Reconstructed W(001) Surface", C.Z. Wang, E. Tosatti, A. Fasolino, M. Parrinello, Surf. Sci. 189/190, 679 (1987).

[5] "Temperature-Dependent Surface Phonon Dispersion of Reconstructed W(001)", C.Z. Wang, A. Fasolino and E. Tosatti, Europhys. Lett. 7, 263 (1988).

[4] "Reconstruction Phase Transition of the Clean W(001) Surface", C.Z. Wang, M. Parrinello, E. Tosatti and A. Fasolino, Europhys. Lett. 6, 43 (1988).

[3] "Structure, Transition, and Dynamics of a Displacive Incommensurate Surface Reconstruction", C.Z. Wang, E. Tosatti and A. Fasolino, Phys. Rev. Lett. 60, 2661 (1988).

[2] "Molecular Dynamics Theory of the Temperature- Dependent Surface Phonons of W(001)", C.Z. Wang, A. Fasolino and E. Tosatti, Phys.Rev. B 37, 2116 (1988).

[1] "Theory of Inelastic Electron Vibrational Spectroscopy of W(001) at Finite Temperature", C.Z. Wang, A. Fasolino and E. Tosatti, Phys. Rev. Lett. 59, 1845 (1987).

Part C: Other Publications:

[10] "Environment-dependent tight-binding model for molybdenum", H. Haas, C. Z. Wang, M. Fahnle, C. Elsasser, and K. M. Ho, MRS symp. proc. 491, Eds. P.E.A. Turchi et al. (MRS, 1998) p. 327.

[9] "A Tight-Binding Model Beyond Two-Center Approximation", C. Z. Wang, M. S. Tang, B. C. Pan, C. T. Chan, and K. M. Ho, in Materials Theory, Simulations, and Parallel Algorithms, MRS symp. proc. 408, Eds, E. Kaxiras et al. (MRS, 1996), p. 37.

[8] "A Tight-Binding Model For Molecular Dynamics of Carbon-Hydrogen systems", G. Kopidakis, C. Z. Wang, C. M. Soukoulis, and K. M. Ho, MRS symp. proc. 358, Eds. L. Brus et al. (MRS, 1995), p.73.

[7] "Atomistic Simulation Using Tight-Binding Molecular Dynamics", S.Y. Qiu, C.Z. Wang, K.M. Ho, and C.T. Chan, High Performance Computing 1994 -- Grand Challenges in Computer Simulation, Ed. A. Tentner (The Society for Computer Simulation, 1994), p.169.

[6] "Tight-Binding Molecular Dynamics Study of Liquid and Amorphous Carbon", C.Z. Wang, K.M. Ho, and C.T. Chan, Material Theory and Modelling, MRS symp. proc. 291, Eds. P.D. Bristowe et al. (MRS, 1993) p. 177.

[5] "Electronic Structure of Dangling and Floating Bonds in Amorphous Silicon", R. Biswas, C.Z. Wang, C.T. Chan, K.M. Ho, and C.M. Soukoulis, Proceedings of Second International Symposium on Process Physics and Modeling in Semiconductor Technology, eds. G. R. Srinivasan, J. D. Plummer, S. T. Pantelides, (The Electrochemical Soc. Inc., Pennington, 1991), p.543.

[4] "Tight-binding Molecular Dynamics Study of Defects and Disorder in Silicon", C.Z. Wang, C.T. Chan, and K.M. Ho, Proceedings of Second International Symposium on Process Physics and Modeling in Semiconductor Technology, eds. G. R. Srinivasan, J. D. Plummer, S. T. Pantelides, (The Electrochemical Soc. Inc., Pennington, 1991), p. 463.

[3] "Vibrational Spectra and Relaxation of Hydrogenated Silicon Surface", Y.H. Lee, B.J. Min, C.Z. Wang, K.M. Ho, R. Biswas, and C.M. Soukoulis, Proceedings of 1990 Seoul International Symposium on The Physics of Semiconductors and Applications, (Korean Phys. Soc., 1990), p. 207.

[2] "Thermal Conductivity in Amorphous Silicon by Molecular Dynamics Simulation", Y.H. Lee, R. Biswas, C.M. Soukoulis, C.Z. Wang, C.T. Chan, and K.M. Ho, Proceedings of 1990 Seoul International Symposium on The Physics of Semiconductors and Applications, (Korean Phys. Soc., 1990), p. 212.

[1] "Reconstruction Phase Transition of W(001) Surface: Soft Modes or Not?", C.Z. Wang, E. Tosatti, A. Fasolino, and M. Parrinello, Vuoto Sci. Tec.(Italy) 14, 321 (1986).

 

 

 

Last Updated:
Contact:
Webmaster