Nitrous oxide (N2O) and nitric oxide (NO) are important atmospheric trace gases participating in the regulation of global climate and environment. Predictive models on the emissio...
Shuguang Liu, William A. Reiners, Michael Keller, ...
Many artificial intelligence techniques rely on the notion ate" as an abstraction of the actual state of the nd an "operator" as an abstraction of the actions that ...
In the present work we describe architectural concepts of the distributed molecular simulation package GridMD. The main purpose of this work is to underline the construction patter...
The vision of grid computing is to make computational power, storage capacity, data and applications available to users as readily as electricity and other utilities. Grid infrast...
Navonil Mustafee, Anders Alstad, Bjorn Larsen, Sim...
We have taken a NIST molecular dynamics simulation program (md3), which was configured as a single sequential process running on a CRAY C90 vector supercomputer, and parallelized ...