• DocumentCode
    1403902
  • 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
  • Volume
    2
  • Issue
    6
  • fYear
    2000
  • Firstpage
    52
  • Lastpage
    60
  • 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;
  • fLanguage
    English
  • Journal_Title
    Computing in Science & Engineering
  • Publisher
    ieee
  • ISSN
    1521-9615
  • Type

    jour

  • DOI
    10.1109/5992.881707
  • Filename
    881707