Sciweavers

HPCS
2007
IEEE
14 years 1 months ago
Utilizing Averaged Configuations from Molecular Dynamics Simulation Trajectories
One of the challenges in the large-scale simulations required for many molecular systems (such as those of biological interested) is the recording, monitoring and visualization of...
Peter G. Kusalik, K. Gillis, J. Vatamanu
BICOB
2009
Springer
14 years 2 months ago
Towards Large-Scale Molecular Dynamics Simulations on Graphics Processors
Atomistic molecular dynamics (MD) simulations are a vital tool in chemical research, as they are able to provide a view of chemical systems and processes that is not obtainable thr...
Joseph E. Davis, Adnan Ozsoy, Sandeep Patel, Miche...