Contains the keyword molecular dynamics

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

Knorowski C, Travesset A. Materials design by DNA programmed self-assembly. Curr Opin Solid State Mat Sci. 2011;15:262-70. Abstract

Wang SY, Wang CZ, Zheng CX, Ho KM. Structure and dynamics of liquid Al1-xSix alloys by ab initio molecular dynamics simulations. Journal of Non-Crystalline Solids. 2009;355:340-7. Abstract

Mendelev MI, Rodin AO, Bokstein BS. Computer Simulation of Diffusion in Dilute Al-Fe Alloys. Diffusion in Materials - Dimat2008. 2009;289-292:733-740791. Abstract

Liu XY, Biner SB. Dynamical interaction between thermally activated glide of screw dislocation and self-interstitial clusters in bcc Fe. In: Tikare V, Murch GE, Soisson F, Kang JK, editors. Theory, Modeling and Numerical Simulation of Multi-Physics Materials Behavior. Vol 139. Stafa-Zurich: Trans Tech Publications Ltd; 2008. p. 59-64. (Solid State Phenomena; vol 139). Abstract

Anderson JA, Lorenz CD, Travesset A. General purpose molecular dynamics simulations fully implemented on graphics processing units. J Comput Phys. 2008;227:5342-59. Abstract

Liu XY, Biner SB. Molecular dynamics simulations of the interactions between screw dislocations and self-interstitial clusters in body-centered cubic Fe. Scr Mater. 2008;59:51-4. Abstract

Sknepnek R, Anderson JA, Lamm MH, Schmalian J, Travesset A. Nanoparticle ordering via functionalized block copolymers in solution. ACS Nano. 2008;2:1259-65. Abstract

Morris JR, Mendelev MI, Srojovitz DJ. A comparison of crystal-melt interfacial free energies using different Al potentials. J Non-Cryst Solids. 2007;353:3565-9. Abstract