—Molecular dynamics simulation based on discrete event simulation (DMD) is emerging as an alternative to time-step driven molecular dynamics (MD). DMD uses simplified discretize...
Martin C. Herbordt, Md. Ashfaquzzaman Khan, Tony D...
High performance computers currently under construction, such as IBM’s Blue Gene/L, consisting of large numbers (64K) of low cost processing elements with relatively small local...
Ed Upchurch, Paul L. Springer, Maciej Brodowicz, S...
Event based simulations are an important scientific application in many fields. With the rise of cluster computing, distributed event simulation optimization becomes an essential ...
We present a de novo hierarchical simulation framework for first-principles based predictive simulations of materials and their validation on high-end parallel supercomputers and ...
Aiichiro Nakano, Rajiv K. Kalia, Ken-ichi Nomura, ...
Background: Stochastic simulation has become a useful tool to both study natural biological systems and design new synthetic ones. By capturing the intrinsic molecular fluctuation...
Howard Salis, Vassilios Sotiropoulos, Yiannis N. K...