Long-standing themes in computational chemical dynamics

Research output: Contribution to journalArticlepeer-review

15 Scopus citations


This article gives a brief history of the development of computational techniques for studying energy transfer and chemical reactions in collisions and unimolecular processes involving atoms and small molecules in the gas phase. The period covered is 1956 to the dawn of the age of parallel computing; and the discussion focuses on early implementations of now standard techniques for accurate solutions of the classical and quantal equations of motion. The emphasis is on early examples of reccuring themes.

Original languageEnglish (US)
Pages (from-to)78-90
Number of pages13
JournalComputer Physics Communications
Issue number1-3
StatePublished - Nov 1994

Bibliographical note

Funding Information:
The author’s work in this area is supported by the National Science Foundation and the Mm-nesota Supercomputer Institute.


Dive into the research topics of 'Long-standing themes in computational chemical dynamics'. Together they form a unique fingerprint.

Cite this