Cai-Zhuang Wang

Learn More
Graphene, a single atomic layer of graphite, has been a material of recent intensive studies due to its novel electronic and structural properties and its potential applications in the emerging area of carbon-based electronic devices. Metal on graphene growth is one of the current research interests, aiming at improving and manipulating the electronic and(More)
Min Ji,1 Koichiro Umemoto,2 Cai-Zhuang Wang,1 Kai-Ming Ho,1 and Renata M. Wentzcovitch3 1Ames Laboratory, U.S. Department of Energy and Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011, USA 2Department of Geology and Geophysics, University of Minnesota, Minneapolis, Minnesota 55455, USA 3Minnesota Supercomputing Institute and(More)
We have performed a systematic ground state geometry search for the singly charged Sin cations in the medium-size range (n<20) using density functional theory in the local density approximation ~LDA! and generalized gradient approximation ~GGA!. The structures resulting for n<18 generally follow the prolate ‘‘stacked Si9 tricapped trigonal prism’’ pattern(More)
Shunqing Wu,1,2 Koichiro Umemoto,3 Min Ji,1 Cai-Zhuang Wang,1 Kai-Ming Ho,1 and Renata M. Wentzcovitch4 1Ames Laboratory, US DOE and Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011, USA 2Department of Physics, Xiamen University, Xiamen 361005, China 3Department of Geology and Geophysics, University of Minnesota, Minneapolis,(More)
Protein-protein interactions play a critical role in protein function. Completion of many genomes is being followed rapidly by major efforts to identify interacting protein pairs experimentally in order to decipher the networks of interacting, coordinated-in-action proteins. Identification of protein-protein interaction sites and detection of specific amino(More)
Advanced materials characterization techniques with ever-growing data acquisition speed and storage capabilities represent a challenge in modern materials science, and new procedures to quickly assess and analyze the data are needed. Machine learning approaches are effective in reducing the complexity of data and rapidly homing in on the underlying trend in(More)
We report a genetic algorithm approach combined with ab initio calculations to determine the structure of hydrogenated 110 Si nanowires. As the number of atoms per length increases, we find that the cross section of the nanowire evolves from chains of six-atom rings to fused pairs of such chains to hexagons bounded by {001} and {111} facets. Our(More)
Ju Li,1 Cai-Zhuang Wang,2 Jin-Peng Chang,3 Wei Cai,4 Vasily V. Bulatov,4 Kai-Ming Ho,2 and Sidney Yip3,* 1Department of Materials Science and Engineering, Ohio State University, Columbus, Ohio 43210, USA 2Ames Laboratory and Department of Physics, Iowa State University, Ames, Iowa 50011, USA 3Department of Nuclear Engineering, Massachusetts Institute of(More)
Graphene has been studied immensely because of its unusual properties as a 2D gas of confi ned electrons with its unique Dirac cone electronic structure, high electron mobility, and promising microelectronics applications. [ 1–3 ] One method to grow graphene is by thermally annealing SiC at suffi ciently high temperatures. For Si-terminated SiC, by(More)