kmh

Ames Laboratory Profile

Kai-ming

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 2014 26, 035402. 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 2014 89, 045131. 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 2014 112, 045502. 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 2014 383, 13-20. 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 2014 89, 041401. 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 2014 104, 061905. 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 2014 115, 053522. 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 2014 104, 121907. 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 2014 182, 14-16. Abstract
Nguyen, M.C.; Zhao, X.; Wang, C.Z.; Ho, K.M. New Be-intercalated hexagonal boron layer structure of BeB2. Rsc Advances 2014 4, 15061-15065. 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 2014 118, 9524-9530. 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 2014 89, 184112. 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 2014 81, 32-35. 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 2014 118, 19123-19128. 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 2014 118, 18356-18361. 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 2014 4, 6367. 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 2014 90, 161104. 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 2014 611, 167-170. 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 2014 105, 151910. 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 2014 90, 155444. 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 2014 80, 498-504. 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 2014 90, 174101. 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 2014 26, 455401. 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 2014 81, 337-344. 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 2014 113, 236101. 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 2014 148, 1145-1148. Abstract

2013

Xu, C.; Biswas, R.; Ho, K.M. Enhanced light emission in semiconductor nanowire arrays. Optics Communications 2013 287, 250-253. 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 2013 21, 2393-2401. 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 2013 25, 105302. 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 2013 15, 4297-4302. 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 2013 25, 155301. 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 2013 46, 135302. 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 2013 3, 1916. 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 2013 572, 48-52. 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 2013 46, 235101. 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 2013 25, 245102. 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 2013 49, 3281-3283. 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 2013 114, 144306. 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 2013 111, 165502. 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 2013 111, 196801. 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 2013 3, 22135-22139. 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 2013 139, 224702. Abstract

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Publications

2014

2013