State-of-the-art molecular dynamics (MD) simulations generate massive datasets involving billion-vertex chemical bond networks, which makes data mining based on graph algorithms s...
Cheng Zhang, Bhupesh Bansal, Paulo S. Branicio, Ra...
We have developed a visualization system, named Atomsviewer, to render a billion atoms from the results of a molecular dynamics simulation. This system uses a hierarchical view fr...
Ashish Sharma, Xinlian Liu, Paul Miller, Aiichiro ...
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, ...
ABSTRACT. Reconfigurable systolic arrays can be adapted to efficiently resolve a wide spectrum of computational problems; parallelism is naturally explored in systolic arrays and r...
Homologydetection in large data bases is probably the most time consuming operation in molecular genetic computing systems. Moreover, the progresses made all around the world conc...