Contains the keyword molecular-dynamics

Knorowski C, Travesset A. Dynamics of DNA-programmable nanoparticle crystallization: gelation, nucleation and topological defects. Soft Matter. 2012;8:12053-9. Abstract

Markutsya S, Kholod YA, Devarajan A, Windus TL, Gordon MS, Lamm MH. A coarse-grained model for beta-D-glucose based on force matching. Theor Chem Acc. 2012;131:1162. 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

Song W, Lu WC, Wang CZ, Ho KM. Magnetic and electronic properties of the nickel clusters Ni(n) (n <= 30). Comput Theor Chem. 2011;978:41-6. Abstract

Hao SG, Wang CZ, Li MZ, Napolitano RE, Ho KM. Dynamic arrest and glass formation induced by self-aggregation of icosahedral clusters in Zr(1-x)Cu(x) alloys. Phys Rev B. 2011;84:064203. Abstract

Wu SQ, Umemoto K, Ji M, Wang CZ, Ho KM, Wentzcovitch RM. Identification of post-pyrite phase transitions in SiO2 by a genetic algorithm. Phys Rev BPhys Rev B. 2011;83:184102. Abstract

Ji M, Umemoto K, Wang CZ, Ho KM, Wentzcovitch RM. Ultrahigh-pressure phases of H(2)O ice predicted using an adaptive genetic algorithm. Phys Rev B. 2011;84:220105. Abstract

Mauro NA, Wessels V, Bendert JC, Klein S, Gangopadhyay AK, Kramer MJ, et al. Short- and medium-range order in Zr80Pt20 liquids. Phys Rev BPhys Rev B. 2011;83:184109. Abstract

Sok S, Willow SY, Zahariev F, Gordon MS. Solvent-Induced Shift of the Lowest Singlet pi -> pi* Charge-Transfer Excited State of p-Nitroaniline in Water: An Application of the TDDFT/EFP1 Method. J Phys Chem A. 2011;115:9801-9. Abstract

Wessels V, Gangopadhyay AK, Sahu KK, Hyers RW, Canepari SM, Rogers JR, et al. Rapid chemical and topological ordering in supercooled liquid Cu46Zr54. Phys Rev B. 2011;83:094116. Abstract