CaltechAUTHORS
  A Caltech Library Service

Computational chemistry

Truhlar, Donald G. and McKoy, Vincent (2000) Computational chemistry. Computing in Science & Engineering, 2 (6). pp. 19-21. ISSN 1521-9615. http://resolver.caltech.edu/CaltechAUTHORS:20151027-154129074

[img] PDF - Published Version
See Usage Policy.

773Kb

Use this Persistent URL to link to this item: http://resolver.caltech.edu/CaltechAUTHORS:20151027-154129074

Abstract

Computational chemistry has come of age. With significant strides in computer hardware and software over the last few decades, computational chemistry has achieved full partnership with theory and experiment as a tool for understanding and predicting the behavior of a broad range of chemical, physical, and biological phenomena. The Nobel Prize award to John Pople and Walter Kohn in 1998 highlighted the importance of these advances in computational chemistry. With massively parallel computers capable of peak performance of several teraflops already on the scene and with the development of parallel software for efficient exploitation of these high-end computers, we can anticipate that computational chemistry will continue to change the scientific landscape throughout the coming century. The impact of these advances will be broad and encompassing, because chemistry is so central to the myriad of advances we anticipate in areas such as materials design, biological sciences, and chemical manufacturing.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1109/MCISE.2000.881703DOIArticle
http://ieeexplore.ieee.org/xpl/articleDetails.jsp?arnumber=881703PublisherArticle
Additional Information:© 2000 IEEE.
Record Number:CaltechAUTHORS:20151027-154129074
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:20151027-154129074
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:61606
Collection:CaltechAUTHORS
Deposited By: George Porter
Deposited On:28 Oct 2015 15:03
Last Modified:28 Oct 2015 15:03

Repository Staff Only: item control page