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The role and challenges of computational chemistry in industrial problems

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1 Author(s)
Dasgupta, S. ; Beckman Inst., California Inst. of Technol., Pasadena, CA, USA

To remain competitive, the US chemical industry needs to use all available tools to increase productivity. Computational chemistry can help design new materials and improve manufacturing efficiency. However, it needs to focus on method development at all length and time scales. The article illustrates the challenges and opportunities with two specific examples of industrial problems

Published in:

Computing in Science & Engineering  (Volume:2 ,  Issue: 6 )