.png){kind=icon}
Return
Accelerating molecular dynamics simulations using Graphics Processing Units with CUDA
.png){kind=icon}
PRE
AI
DOI：10.1016/j.cpc.2008.05.008.png)
.png){kind=icon}
Original request for help.png){kind=icon}
Share.png){kind=icon}
Save
Abstract
En 中文
Molecular dynamics is an important computational tool to simulate and understand biochemical processes at the atomic level. However, accurate simulation of processes such as protein folding requires a large number of both atoms and time steps. This in turn leads to huge runtime requirements. Hence, finding fast solutions is of highest importance to research. In this paper we present a new approach to accelerate molecular dynamics simulations with inexpensive commodity graphics hardware. To derive an efficient mapping onto this type of computer architecture, we have used the new Compute Unified Device Architecture programming interface to implement a new parallel algorithm. Our experimental results show that the graphics card based approach allows speedups of up to factor nineteen compared to the corresponding sequential implementation. (C) 2008 Elsevier B.V. All rights reserved.
Keywords:
Graphics processing unit
Molecular dynamics
Advanced computer architecture
AI Summary
Key information extracted from the uploaded paper, including a brief overview, abstract, background, key highlights, visual analysis, and future outlook.
Journal
IF:
3.4
Papers:
1.2W
Citations:
3.7W
Organization
Cited Papers
.png){kind=icon}
ShareSaveShareSaveShareSave
View more