From proposal to production: Lessons learned developing the computational chemistry grid cyberinfrastructure

R Dooley, K Milfeld, C Guiang, S Pamidighantam… - Journal of Grid …, 2006 - Springer
Abstract The Computational Chemistry Grid (CCG) is a three-year, National Middleware
Initiative program to develop cyberinfrastructure for the chemistry community. CCG is led by …

[PDF][PDF] Cluster computing through an application-oriented computational chemistry grid

K Milfeld, C Guiang, S Pamidighantam… - Proceedings of the …, 2005 - researchgate.net
Over the last 20 years, personal computers and networking infrastructures have greatly
enhanced the working environment and communication of researchers. Also, Linux clusters …

Ecce—a problem‐solving environment's evolution toward Grid services and a Web architecture

K Schuchardt, B Didier, G Black - Concurrency and computation …, 2002 - Wiley Online Library
Abstract The Extensible Computational Chemistry Environment (Ecce), an innovative
problem‐solving environment, was designed a decade ago, before the emergence of the …

The Virtual Laboratory: a toolset to enable distributed molecular modelling for drug design on the World‐Wide Grid

R Buyya, K Branson, J Giddy… - … Practice and Experience, 2003 - Wiley Online Library
Computational Grids are emerging as a new paradigm for sharing and aggregation of
geographically distributed resources for solving large‐scale compute and data intensive …

[PDF][PDF] Overview of Japanese science Grid project NAREGI

K Miura - Progress in Informatics, 2006 - nii.ac.jp
This paper outlines the National Research Grid Initiative (NAREGI), which started as a
fiveyear project from fiscal 2003 as one of the major Japanese national IT projects currently …

Science gateways—Common community interfaces to grid resources.

N Wilkins-Diehr - Concurrency & Computation: Practice & …, 2007 - search.ebscohost.com
This article serves as the preface to the May 2007 issue of" Concurrency &
Computation: Practice & Experience," a special issued dedicated to the concept of …

[PDF][PDF] NetSolve: Grid enabling scientific computing environments.

K Seymour, A YarKhan, S Agrawal… - High Performance …, 2004 - irisa.fr
The purpose of NetSolve is to create the middleware necessary to provide a seamless
bridge between the simple, standard programming interfaces and desktop systems that …

A framework for the design and reuse of grid workflows

I Altintas, A Birnbaum, KK Baldridge, W Sudholt… - Scientific Applications of …, 2005 - Springer
Grid workflows can be seen as special scientific workflows involving high performance
and/or high throughput computational tasks. Much work in grid workflows has focused on …

On the structuring of the computational chemistry virtual organization COMPCHEM

A Laganà, A Riganelli, O Gervasi - International Conference on …, 2006 - Springer
LNCS 3980 - On the Structuring of the Computational Chemistry Virtual Organization
COMPCHEM Page 1 On the Structuring of the Computational Chemistry Virtual Organization …

Computational and data grids in large-scale science and engineering

WE Johnston - Future Generation Computer Systems, 2002 - Elsevier
As the practice of science moves beyond the single investigator due to the complexity of the
problems that now dominate science, large collaborative and multi-institutional teams are …