Atomic-level computer simulation

James Adams, Angus Rockett, John Kieffer, Wei Xu, Miki Nomura, Karland A. Kilian, David F. Richards, R. Ramprasad

Research output: Contribution to journalArticle

16 Scopus citations


This paper provides a broad overview of the methods of atomic-level computer simulation. It discusses methods of modelling atomic bonding, and computer simulation methods such as energy minimization, molecular dynamics, Monte Carlo, and lattice Monte Carlo.

Original languageEnglish (US)
Pages (from-to)265-274
Number of pages10
JournalJournal of Nuclear Materials
Issue numberC
Publication statusPublished - 1994
Externally publishedYes


ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials

Cite this

Adams, J., Rockett, A., Kieffer, J., Xu, W., Nomura, M., Kilian, K. A., ... Ramprasad, R. (1994). Atomic-level computer simulation. Journal of Nuclear Materials, 216(C), 265-274.