Background: Selective pressure in molecular evolution leads to uneven distributions of amino acids and nucleotides. In fact one observes correlations among such constituents due t...
Sebastian Bremm, Tobias Schreck, Patrick Boba, Ste...
- We have developed a performance prediction model for non-bonded interaction computations in molecular dynamics simulations, thereby predicting the optimal cell dimension in a lin...
Manaschai Kunaseth, Rajiv K. Kalia, Aiichiro Nakan...
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 ...
Peridynamics (PD) is a continuum theory that employs a nonlocal model to describe material properties. In this context, nonlocal means that continuum points separated by a finite ...
Michael L. Parks, Richard B. Lehoucq, Steven J. Pl...
This paper presents the integration of application specific interfaces in the UNICORE Grid infrastructure. UNICORE provides a seamless and secure mechanism to access distributed s...