kmh

Ames Laboratory Profile

Kai-ming

Distinguished Professor

Division of Materials Science & Engineering

A502

Zaffarano

Phone Number:

515-294-1960

Email Address:

kmh@ameslab.gov

Ames Laboratory Research Projects:

Exploratory Development of Theoretical Methods

Photonic Systems

Structures and Dynamics in Condensed Systems

Surface Structures Far-from-Equilibrium

Education:

Ph.D. Physics, University of California, Berkeley (thesis advisor: Marvin Cohen), 1978

B.Sc., B.Sc(Sp) University of Hong Kong, 1973

Professional Appointments:

Senior Scientist, Ames Lab, 1988 - present

Professor, Iowa State University, 1988 - present

Head, Theory Group, Microelectronics Research Center, Iowa State University, 1987 - 1989

Physicist, Ames Lab, 1985 - 1988

Associate Professor, Iowa State University, 198- 1988

Assistant Professor, Iowa State University, 1982 - 1985

Visiting Scientist, Kernforschungszentrum Karlsruhe, Karlsruhe, Germany, Sep-Nov 1984; Mar-Jul 1988

Associate Physicist, Ames Lab, 1980 - 1985

Postdoctoral fellow, Ames Lab (sponsor: Sam Liu), 1978 - 1980

Areas of Expertise:

Total energy calculations and molecular dynamical simulations of condensed matter systems, especially clusters and surfaces

Multiscale simulation

Photonic crystals

Genetic algorithm for geometry optimization

Protein structure and dynamics

Honors & Awards:

Energy 100 Award (USDOE), 2001

Science 100 Award (USDOE), 2001

Distinguished Professor in Liberal Arts and Sciences, Iowa State University, 1997-

Sustained Outstanding Research in Solid State Physics (DOE Materials Science Division), 1996

Fellow, American Physical Society 1995-

Outstanding Scientific Accomplishments in Solid State Physics (DOE Materials Science Division), 1992

Publications

2014

Wu, S.Q.; Ji, M.; Wang, C.Z.; Nguyen, M.C.; Zhao, X.; Umemoto, K.; Wentzcovitch, R.M.; Ho, K.M., "An adaptive genetic algorithm for crystal structure prediction," Journal of Physics-Condensed Matter, vol. 26, pp. 035402, 2014. Abstract
Yao, Y.X.; Liu, J.; Wang, C.Z.; Ho, K.M., "Correlation matrix renormalization approximation for total-energy calculations of correlated electron systems," Physical Review B, vol. 89, pp. 045131, 2014. Abstract
Zhao, X.; Nguyen, M.C.; Zhang, W.Y.; Wang, C.Z.; Kramer, M.J.; Sellmyer, D.J.; Li, X.Z.; Zhang, F.; Ke, L.Q.; Antropov, V.P.; Ho, K.M., "Exploring the Structural Complexity of Intermetallic Compounds by an Adaptive Genetic Algorithm," Physical Review Letters, vol. 112, pp. 045502, 2014. Abstract
Shen, B.; Liu, C.Y.; Jia, Y.; Yue, G.Q.; Ke, F.S.; Zhao, H.B.; Chen, L.Y.; Wang, S.Y.; Wang, C.Z.; Ho, K.M., "Molecular dynamics simulation studies of structural and dynamical properties of rapidly quenched Al," Journal of Non-Crystalline Solids, vol. 383, pp. 13-20, 2014. Abstract
Liu, X.J.; Wang, C.Z.; Hupalo, M.; Lin, H.Q.; Ho, K.M.; Tringides, M.C., "Quantum confinement induced oscillatory electric field on a stepped Pb(111) film and its influence on surface reactivity," Physical Review B, vol. 89, pp. 041401, 2014. Abstract
Zhang, F.; Mendelev, M.I.; Zhang, Y.; Wang, C.Z.; Kramer, M.J.; Ho, K.M., "Effects of sub-T-g annealing on Cu64.5Zr35.5 glasses: A molecular dynamics study," Applied Physics Letters, vol. 104, pp. 061905, 2014. Abstract
Fang, X.W.; Huang, L.; Wang, C.Z.; Ho, K.M.; Ding, Z.J., "Structure of Cu64.5Zr35.5 metallic glass by reverse Monte Carlo simulations," Journal of Applied Physics, vol. 115, pp. 053522, 2014. Abstract
Zhang, D.X.; Shen, B.; Zheng, Y.X.; Wang, S.Y.; Zhang, J.B.; Yang, S.D.; Zhang, R.J.; Chen, L.Y.; Wang, C.Z.; Ho, K.M., "Evolution of optical properties of tin film from solid to liquid studied by spectroscopic ellipsometry and ab initio calculation," Applied Physics Letters, vol. 104, pp. 121907, 2014. Abstract
Nguyen, M.C.; Zhao, X.; Wang, Y.G.; Wang, C.Z.; Ho, K.M., "Genetic algorithm prediction of crystal structure of metastable Si-IX phase," Solid State Communications, vol. 182, pp. 14-16, 2014. Abstract
Nguyen, M.C.; Zhao, X.; Wang, C.Z.; Ho, K.M., "New Be-intercalated hexagonal boron layer structure of BeB2," Rsc Advances, vol. 4, pp. 15061-15065, 2014. Abstract
Zhao, X.; Shu, Q.; Nguyen, M.C.; Wang, Y.G.; Ji, M.; Xiang, H.J.; Ho, K.M.; Gong, X.G.; Wang, C.Z., "Interface Structure Prediction from First-Principles," Journal of Physical Chemistry C, vol. 118, pp. 9524-9530, 2014. Abstract
Nguyen, M.C.; Zhao, X.; Wang, C.Z.; Ho, K.M., "sp(3)-hybridized framework structure of group-14 elements discovered by genetic algorithm," Physical Review B, vol. 89, pp. 184112, 2014. Abstract
Zhang, F.; McBrearty, I.; Ott, R.T.; Park, E.; Mendelev, M.I.; Kramer, M.J.; Wang, C.Z.; Ho, K.M., "Discovery of a meta-stable Al-Sm phase with unknown stoichiometry using a genetic algorithm," Scripta Materialia, vol. 81, pp. 32-35, 2014. Abstract
Liu, X.J.; Wang, C.Z.; Lin, H.Q.; Ho, K.M., "Magnetic Moment Enhancement for Mn-7 Cluster on Graphene," Journal of Physical Chemistry C, vol. 118, pp. 19123-19128, 2014. Abstract
Zhang, F.; Wood, B.C.; Wang, Y.; Wang, C.Z.; Ho, K.M.; Chou, M.Y., "Ultrafast Bulk Diffusion of AlHx in High-Entropy Dehydrogenation Intermediates of NaAlH4," Journal of Physical Chemistry C, vol. 118, pp. 18356-18361, 2014. Abstract
Kusne, A.G.; Gao, T.R.; Mehta, A.; Ke, L.Q.; Nguyen, M.C.; Ho, K.M.; Antropov, V.; Wang, C.Z.; Kramer, M.J.; Long, C.; Takeuchi, I., "On-the-fly machine-learning for high-throughput experiments: search for rare-earth-free permanent magnets," Scientific Reports, vol. 4, pp. 6367, 2014. Abstract
Lanata, N.; Yao, Y.X.; Wang, C.Z.; Ho, K.M.; Kotliar, G., "Interplay of spin-orbit and entropic effects in cerium," Physical Review B, vol. 90, pp. 161104, 2014. Abstract
Li, X.Z.; Zhang, W.Y.; Sellmyer, D.J.; Zhao, X.; Nguyen, M.C.; Wang, C.Z.; Ho, K.M., "Orthorhombic Zr2Co11 phase revisited," Journal of Alloys and Compounds, vol. 611, pp. 167-170, 2014. Abstract
Zhang, Y.; Wang, C.Z.; Zhang, F.; Mendelev, M.I.; Kramer, M.J.; Ho, K.M., "Strong correlations of dynamical and structural heterogeneities with localized soft modes in a Cu-Zr metallic glass," Applied Physics Letters, vol. 105, pp. 151910, 2014. Abstract
Liu, X.J.; Wang, C.Z.; Lin, H.Q.; Hupalo, M.; Thiel, P.A.; Ho, K.M.; Tringides, M.C., "Structures and magnetic properties of Fe clusters on graphene," Physical Review B, vol. 90, pp. 155444, 2014. Abstract
Ke, F.S.; Yue, G.Q.; Shen, B.; Dong, F.; Wang, S.Y.; Zheng, Y.X.; Chen, L.Y.; Wang, C.Z.; Ho, K.M., "Bergman-type medium-range order in rapidly quenched Ag0.74Ge0.26 eutectic alloy studied by ab initio molecular dynamics simulation," Acta Materialia, vol. 80, pp. 498-504, 2014. Abstract
Zhang, Y.; Mendelev, M.I.; Wang, C.Z.; Ott, R.; Zhang, F.; Besser, M.; Ho, K.M.; Kramer, M.J., "Impact of deformation on the atomic structures and dynamics of a Cu-Zr metallic glass: A molecular dynamics study," Physical Review B, vol. 90, pp. 174101, 2014. Abstract
Zhao, X.; Nguyen, M.C.; Wang, C.Z.; Ho, K.M., "New stable Re-B phases for ultra-hard materials," Journal of Physics-Condensed Matter, vol. 26, pp. 455401, 2014. Abstract
Zhang, F.; Ji, M.; Fang, X.W.; Sun, Y.; Wang, C.Z.; Mendelev, M.I.; Kramer, M.J.; Napolitano, R.E.; Ho, K.M., "Composition-dependent stability of the medium-range order responsible for metallic glass formation," Acta Materialia, vol. 81, pp. 337-344, 2014. Abstract
Hershberger, M.T.; Hupalo, M.; Thiel, P.A.; Wang, C.Z.; Ho, K.M.; Tringides, M.C., "Nucleation in Pb/Si(111) at Low Temperatures," Physical Review Letters, vol. 113, pp. 236101, 2014. Abstract
Wu, S.Q.; Wang, C.Z.; Zhu, Z.Z.; Ho, K.M., "Understanding the role of silicon oxide shell in oxide-assisted SiNWs growth," Materials Chemistry and Physics, vol. 148, pp. 1145-1148, 2014. Abstract

2013

Xu, C.; Biswas, R.; Ho, K.M., "Enhanced light emission in semiconductor nanowire arrays," Optics Communications, vol. 287, pp. 250-253, 2013. Abstract
Kuang, P.; Park, J.M.; Liu, G.Y.; Ye, Z.; Leung, W.; Chaudhary, S.; Lynch, D.; Ho, K.M.; Constant, K., "Metal-nanowall grating transparent electrodes: Achieving high optical transmittance at high incident angles with minimal diffraction," Optics Express, vol. 21, pp. 2393-2401, 2013. Abstract
Zhang, G.P.; Liu, X.J.; Wang, C.Z.; Yao, Y.X.; Zhang, J.; Ho, K.M., "Electronic and spin transport properties of graphene nanoribbon mediated by metal adatoms: a study by the QUAMBO-NEGF approach," Journal of Physics-Condensed Matter, vol. 25, pp. 105302, 2013. Abstract
Chen, Y.Q.; Elshobaki, M.; Ye, Z.; Park, J.M.; Noack, M.A.; Ho, K.M.; Chaudhary, S., "Microlens array induced light absorption enhancement in polymer solar cells," Physical Chemistry Chemical Physics, vol. 15, pp. 4297-4302, 2013. Abstract
Lee, G.D.; Yoon, E.; Wang, C.Z.; Ho, K.M., "Atomistic processes of grain boundary motion and annihilation in graphene," Journal of Physics-Condensed Matter, vol. 25, pp. 155301, 2013. Abstract
Liu, N.; Lu, N.; Yao, Y.X.; Zhang, G.P.; Wang, C.Z.; Ho, K.M., "Cross-sectional aspect ratio modulated electronic properties in Si/Ge core/shell nanowires," Journal of Physics D-Applied Physics, vol. 46, pp. 135302, 2013. Abstract
Hu, X.H.; Yang, J.; Zi, J.; Chan, C.T.; Ho, K.M., "Experimental Observation of Negative Effective Gravity in Water Waves," Scientific Reports, vol. 3, pp. 1916, 2013. Abstract
Xie, H.; Lu, W.C.; Zhang, W.; Qin, P.H.; Wang, C.Z.; Ho, K.M., "Electronic and magnetic properties of triangular graphene nanoflakes embedded in fluorographene," Chemical Physics Letters, vol. 572, pp. 48-52, 2013. Abstract
Liu, N.; Zheng, Z.Q.; Yao, Y.X.; Zhang, G.P.; Lu, N.; Li, P.J.; Wang, C.Z.; Ho, K.M., "Fine band gap modulation effects of aGNRs by an organic functional group: a first-principles study," Journal of Physics D-Applied Physics, vol. 46, pp. 235101, 2013. Abstract
Yue, G.Q.; Wu, S.; Shen, B.; Wang, S.Y.; Wang, C.Z.; Ho, K.M.; Kramer, M.J.; Chen, L.Y., "Effects of strontium impurity on the structure and dynamics of Al88Si12 liquid," Journal of Physics-Condensed Matter, vol. 25, pp. 245102, 2013. Abstract
Nguyen, M.C.; Ke, L.Q.; Zhao, X.; Antropov, V.; Wang, C.Z.; Ho, K.M., "Atomic Structure and Magnetic Properties of HfCo7 Alloy," Ieee Transactions on Magnetics, vol. 49, pp. 3281-3283, 2013. Abstract
Lee, W.J.; Chang, J.G.; Yang, A.C.; Wang, Y.T.; Su, W.S.; Wang, C.Z.; Ho, K.M., "Influence of oriented topological defects on the mechanical properties of carbon nanotube heterojunctions," Journal of Applied Physics, vol. 114, pp. 144306, 2013. Abstract
Nguyen, M.C.; Choi, J.H.; Zhao, X.; Wang, C.Z.; Zhang, Z.; Ho, K.M., "New Layered Structures of Cuprous Chalcogenides as Thin Film Solar Cell Materials: Cu2Te and Cu2Se," Physical Review Letters, vol. 111, pp. 165502, 2013. Abstract
Lanata, N.; Yao, Y.X.; Wang, C.Z.; Ho, K.M.; Schmalian, J.; Haule, K.; Kotliar, G., "gamma-alpha Isostructural Transition in Cerium," Physical Review Letters, vol. 111, pp. 196801, 2013. Abstract
Zhao, X.; Nguyen, M.C.; Wang, C.Z.; Ho, K.M., "Structures and stabilities of alkaline earth metal peroxides XO2 (X = Ca, Be, Mg) studied by a genetic algorithm," Rsc Advances, vol. 3, pp. 22135-22139, 2013. Abstract
Lei, H.P.; Wang, C.Z.; Yao, Y.X.; Wang, Y.G.; Hupalo, M.; McDougall, D.; Tringides, M.; Ho, K.M., "Strain effect on the adsorption, diffusion, and molecular dissociation of hydrogen on Mg (0001) surface," Journal of Chemical Physics, vol. 139, pp. 224702, 2013. Abstract

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Publications

2014

2013