Enhancing scientific computation for chemical dynamics simulations using hyperlinked files



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In our work, we propose methods for dynamically extracting hyperlinked files. The method constructs a tree structure of the website. In this tree, web pages of the website represent nodes. These nodes are connected to each other with hyperlinks. During this tree construction, the algorithm excludes unwanted hyperlinks and nodes. We extract the necessary information from the important hyperlinked files. Such information is used as metadata and provided to the user for selection of respective files. Depending on the user's selection of metadata, the specific file is automatically extracted. This technique is used for enhancing scientific computation for chemical dynamics simulations. Force field functions are one of the vital components of chemical dynamics simulations. These functions are written in Fortran files. Website consists of many web pages which link to such Fortran files. We use the proposed techniques for extracting such files from the web resource. These Fortran files are integrated with the existing software. This process is practically implemented and tested.