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Contains the keyword augmented-wave method

Engstfeld AK, Hoster HE, Behm RJ, Roelofs LD, Liu XJ, Wang CZ, et al. Directed assembly of Ru nanoclusters on Ru(0001)-supported graphene: STM studies and atomistic modeling. Phys Rev B. 2012;86:085442. Abstract
Shao DH, Liu XJ, Lu N, Wang CZ, Ho KM, Tringides MC, et al. Effect of oxygen on the stability of Ag islands on Si(111)-7 x 7. Surf Sci. 2012;606:1871-8. Abstract
Liu XJ, Wang CZ, Hupalo M, Lu WC, Tringides MC, Yao YX, et al. Metals on graphene: correlation between adatom adsorption behavior and growth morphology. Phys Chem Chem Phys. 2012;14:9157-66. Abstract
Wu S, Kramer MJ, Fang XW, Wang SY, Wang CZ, Ho KM, et al. Icosahedral short-range order in amorphous Cu80Si20 by ab initio molecular dynamics simulation study. Intermetallics. 2012;30:122-6. Abstract
Nguyen MC, Zhao X, Ji M, Wang CZ, Harmon B, Ho KM. Atomic structure and magnetic properties of Fe1-xCox alloys. J Appl Phys. 2012;111:07e338. Abstract
Liu XJ, Hupalo M, Wang CZ, Lu WC, Thiel PA, Ho KM, et al. Growth morphology and thermal stability of metal islands on graphene. Phys Rev B. 2012;86:081414. Abstract
Huang L, Fang XW, Wang CZ, Kramer MJ, Ding ZJ, Ho KM. Medium-range icosahedral order in quasicrystal-forming Zr2Pd binary metallic glass. Appl Phys LettAppl Phys Lett. 2011;98:231906. Abstract
Huang L, Wang CZ, Ho KM. Structure and dynamics of liquid Ni36Zr64 by ab initio molecular dynamics. Phys Rev BPhys Rev B. 2011;83:184103. Abstract
Wu S, Fang XW, Wang SY, Wang CZ, Yao YX, Ho KM, et al. Fluctuation between icosahedral and body-centered-cube short-range orders in undercooled Zr liquid. J Appl Phys. 2011;110:103518. Abstract
Sheng HW, Kramer MJ, Cadien A, Fujita T, Chen MW. Highly optimized embedded-atom-method potentials for fourteen fcc metals. Phys Rev B. 2011;83:134118. Abstract