Paper Info
Title
Virtual laboratory for planetary materials (VLab): an updated overview of system service architecture
Abstract
In this paper we review the main features and illustrate the use of VLab, a Science Gateway that provides Cyber-infrastructure (CI) for distributed first principles computations in materials science. The VLab CI includes Web Services running in different computers, controlled from a Web Portal running predefined, distributed, and interactive workflows by multiple users. Currently, in addition to simple electronic structure calculations, it supports calculations of materials properties important for mineral physics that require substantial number of tasks, such as, thermodynamic and thermal elastic properties. VLab uses the Quantum ESPRESSO software for first principles computations. Here, we show details of the task distribution in batch system using a "bag of tasks" approach. We also explain VLab's approach to interactive user tools, including interactive image plots developed for thermodynamic properties, pressure scale calculator, and a database of results.
Year
DOI
Venue
2011
10.1145/2016741.2016777
Proceedings of the 2011 TeraGrid Conference: Extreme Digital Discovery
Keywords
DocType
Citations 
virtual laboratory,interactive user tool,interactive workflows,materials property,thermodynamic property,system service architecture,materials science,planetary material,web portal,web services,interactive image plot,vlab ci,updated overview,principles computation,web service,material properties,grid computing,first principle,thermodynamics,quantum espresso,service architecture
Conference
2
PageRank 
References 
Authors
0.42
2
6
Name
Order
Citations
PageRank
Pedro R. C. da Silveira151.25
M. Núñez Valdez220.76
Renata M. Wenzcovitch320.42
Marlon Pierce432240.79
Cesar R. S. da Silva581.25
David A. Yuen68214.75