A ubiquitous tool for education in chemical dynamics simulations

Yu Zhuang, William L. Hase, P. Khadka, U. Lourderaj, Sailesh Baidya

Research output: Contribution to journalArticle

4 Scopus citations

Abstract

Chemical dynamics simulation is essential in a broad range of science and engineering investigations, and hence essential for science and engineering education. Many chemical dynamics simulations are very time consuming and require high performance computing systems, which, however, are not as affordable, and hence as ubiquitously accessible, as desk top or laptop computers. We present a cycberinfrastructure for chemical dynamics simulations which has a web portal, a high performance computing cluster, and optimized software and user interfaces that provide access to our software/hardware resources for user-friendly and worry-free simulation set-up, submission, and post-simulation analysis. This provides an effective and ubiquitously accessible education tool for both students and educators engaged in chemical dynamics simulations.

Original languageEnglish
Pages (from-to)57-62
Number of pages6
JournalUbiquitous Learning
Volume1
Issue number3
DOIs
StatePublished - 2009

Keywords

  • Chemical dynamics simulation
  • Cyberinfrastructre
  • High performance computing
  • Ubiquitous access
  • User-friendly
  • Web portal

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