26 Apr 2007 | Tools | Contributor(s): Xufeng Wang, Susan Sinnott, Jing Xu, SeongJun Heo, Wen-Dung Hsu
Second-generation reactive empirical bond order(REBO)potential energy expression for hydrocarbons
24 Jul 2006 | Tools | Contributor(s): Wen-Dung Hsu, SeongJun Heo, Jing Xu, Susan Sinnott
Reactive Empirical Bond-Order (REBO) potential is a many-body expression optimized for modeling covalently bonded materials, such as carbon and silicon, in large-scale atomistic simulations
24 Jul 2006 | Tools | Contributor(s): Kunal Shah, Patrick Chiu, Jing Xu, Susan Sinnott
Parallel Molecular Dynamics (MD) code that models surfactant structures in water and at liquid/solid interfaces.