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.
|Keywords:||Chemical Dynamics Simulation, Cyberinfrastructre, Web Portal, High Performance Computing, User-Friendly, Ubiquitous Access|
Associate Professor, Department of Computer Science, Texas Tech University, Lubbock, Texas, USA
Robert A. Welch Professor, Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas, USA
Burlington Coat Factory, Burlington, New Jersey, USA
Department of Chemistry & Biochemistry, Texas Tech University, Lubbock, Texas, USA
Graduate Student, Department of Computer Science, Texas Tech University, Lubbock, Texas, USA