The understanding of H diffusion in materials is pivotal to designing suitable processes. Though a nudged elastic band (NEB)+molecular dynamics (MD)/quantum mechanics (QM) algori...
Grid computing involves the ability to harness together the power of computing resources. In this paper we push forward this philosophy and show technologies enabling federation o...
The emerging cyberinfrastructure holds the promise to provide on-demand access to high performance network resources, computing resources, and data storage/retrieval resources fro...
Tharaka Devadithya, Kim Baldridge, Adam Birnbaum, ...
Science Gateways have emerged as a valuable solution for providing large numbers of users with access to advanced computing resources. Additionally, they can hide many of the comp...
We describe the spatial Agent-Based Computational Laboratory that we have developed to study the pandemic influenza risks of US cities. This research presented a series of interes...