The Replica Exchange method is a popular approach for studying the folding thermodynamics of small to modest size proteins in explicit solvent, since it is easily parallelized. Ho...
Maria Eleftheriou, Aleksandr Rayshubskiy, Jed W. P...
The practical realization of managing and executing large scale scientific computations efficiently and reliably is quite challenging. Scientific computations often invo...
Yong Zhao, Ioan Raicu, Ian T. Foster, Mihael Hateg...
Production grids are complex and highly variable systems whose behavior is not well understood and difficult to anticipate. The goal of this study is to estimate the impact of the ...
This paper presents a high-level approach for assessing the performance behavior of complex scientific applications running on a high-performance system through simulation. The pr...
Thomas Fahringer, Nicola Mazzocca, Massimiliano Ra...
Analog and hybrid computation methods are areas of continued interest, particularly in specific applications where traditional digital computation techniques cannot achieve the de...