54. Using Computational Chemistry to Understand & Discover Chemical Reactions


Journal article


K. N. Houk, Peng Liu
Daedalus, vol. 143, 2014 Oct, pp. 49-66


Cite

Cite

APA   Click to copy
Houk, K. N., & Liu, P. (2014). 54. Using Computational Chemistry to Understand & Discover Chemical Reactions. Daedalus, 143, 49–66. https://doi.org/10.1162/DAED_a_00305


Chicago/Turabian   Click to copy
Houk, K. N., and Peng Liu. “54. Using Computational Chemistry to Understand &Amp; Discover Chemical Reactions.” Daedalus 143 (October 2014): 49–66.


MLA   Click to copy
Houk, K. N., and Peng Liu. “54. Using Computational Chemistry to Understand &Amp; Discover Chemical Reactions.” Daedalus, vol. 143, Oct. 2014, pp. 49–66, doi:10.1162/DAED_a_00305.


BibTeX   Click to copy

@article{houk2014a,
  title = {54. Using Computational Chemistry to Understand & Discover Chemical Reactions},
  year = {2014},
  month = oct,
  journal = {Daedalus},
  pages = {49-66},
  volume = {143},
  doi = {10.1162/DAED_a_00305},
  author = {Houk, K. N. and Liu, Peng},
  month_numeric = {10}
}

Chemistry, the “science of matter,” is the investigation of the fabulously complex interchanges of atoms and bonds that happen constantly throughout our universe and within all living things. Computational chemistry is the computer modeling of chemistry using mathematical equations that come from physics. The field was made possible by advances in computer algorithms and computer power and continues to flourish in step with developments in those areas. Computational chemistry can be thought of as both a time-lapse video that slows down processes by a quadrillion-fold and an ultramicroscope that provides a billion-fold magnification. Computational chemists can quantitatively simulate simple chemistry, such as the chemical reactions between molecules in interstellar space. The chemistry inside a living organism is dramatically more complicated and cannot be simulated exactly, but even here computational chemistry enables understanding and leads to discovery of previously unrecognized phenomena. This essay describes how computational chemistry has evolved into a potent force for progress in chemistry in the twenty-first century.

Share



Follow this website


You need to create an Owlstown account to follow this website.


Sign up

Already an Owlstown member?

Log in