Custom math functions for molecular dynamics

IBM Journal of Research and Development

Volumn 49, Issue 2-3, 2005, Pages 465-474

  Enenkel, Robert F ^a   Fitch, Blake G ^b   Germain, Robert S ^b   Gustavson, Fred G ^b   Martin, Allan ^a   Mendell, Mark ^a   Pitera, Jed W ^c   Pitman, Michael C ^b   Rayshubskiy, Aleksandr ^b   Suits, Frank ^b   Swope, William C ^c   Ward, T J Christopher ^d  

^a IBM CANADA LTD   (Canada)

^b IBM T J WATSON RESEARCH CENTER   (United States)

^c IBM ALMADEN RESEARCH CENTER   (United States)

^d IBM   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

C (PROGRAMMING LANGUAGE); CHEBYSHEV APPROXIMATION; COMPUTER SIMULATION; DIGITAL ARITHMETIC; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; OPTIMIZATION; PROGRAM COMPILERS; TIME SERIES ANALYSIS;

BLUE GENE/L SUPERCOMPUTER; FLOATING POINT CAPACITY;

SUPERCOMPUTERS;

EID: 21044444273     PISSN: 00188646     EISSN: None     Source Type: Journal    
DOI: 10.1147/rd.492.0465     Document Type: Article

References (3)

1. See http://www/research.ibm.com/bluegene/jrd_2005/custt_math/index.html.
2. Handbook of Mathematical Functions with Formulas, Graphs, and Mathematical Tables, M. Abramowitz and I. A. Stegun, Eds., U.S. Department of Commerce, Washington, DC, 1972.
3. W. H. Press, S. A. Teukolsky, W. T. Vetterling, and B. P. Flannery, Numerical Recipes in C: The Art of Scientific Computing, Cambridge University Press, New York, 1992.