Abstract
We have been developing Workflow-based grId portal for problem Solving Environment for a Quantum Mechanics (QMWISE). Quantum mechanical calculation is a common and essential method in computational chemistry, however, very intensive and time consuming. Thus, we propose a convenient and effective way to ease the current quantum mechanical problems with Grid technologies. Also, we propose a new workflow-based quantum mechanical portal to approach the difficult quantum mechanical calculations easily by the functions to watch and control the calculation process in the run time, and to manage the large data.
This work has been supported by a Korea University Grant, KIPA-Information Technology Research Center, University research program by Ministry of Information & Communication, and Brain Korea 21 projects in 2004
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Byun, SW., Lee, YK., Kwon, YW., Ryu, SH., Jeong, CS. (2004). Workflow-Based Grid Portal for Quantum Mechanics. In: Jin, H., Pan, Y., Xiao, N., Sun, J. (eds) Grid and Cooperative Computing - GCC 2004 Workshops. GCC 2004. Lecture Notes in Computer Science, vol 3252. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-540-30207-0_77
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DOI: https://doi.org/10.1007/978-3-540-30207-0_77
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-540-23578-1
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