Title :
The role and challenges of computational chemistry in industrial problems
Author :
Dasgupta, Siddharth
Author_Institution :
Beckman Inst., California Inst. of Technol., Pasadena, CA, USA
Abstract :
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
Keywords :
chemical industry; chemistry computing; pharmaceutical industry; technological forecasting; US chemical industry; computational chemistry; industrial problems; manufacturing efficiency; method development; productivity; time scales; Chemical industry; Chemical processes; Chemical technology; Chemistry; Computer industry; Costs; Drugs; Environmental economics; Manufacturing industries; Research and development;
Journal_Title :
Computing in Science & Engineering
DOI :
10.1109/5992.881707
