Computational methods enable predicting crystal structure.(Testing/Analysis)

Advanced Materials & Processes,  January, 2004  

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A modeling and simulation software suite that includes tools for predicting crystal structure and materials properties has been introduced by Accelrys, San Diego, Calif. MS Modeling 3.0 features tools based on statistical correlation, and is designed for analysis of products from nano-technology to bulk chemical production, as well as screening of candidate materials.

The tool called QSAR provides quantitative structure activity relationships, statistical methods that identify patterns in existing data sets that ...

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